Tag: 225.2874

Aqua[(benzothiazol-2-ylsulfanyl)acetato-魏O]bis(1,10-phenanthroline-魏²N,N’)cadmium(II) nitrate monohydrate was written by Bian, He Dong;Huang, Fu Ping;Yu, Qing;Liang, Hong. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2007.Reference of 6295-57-4 This article mentions the following:

Crystals of the title compound are triclinic, space group P1虆; Z = 2. The Cd atom is coordinated by four N atoms [Cd-N 2.376(3)-2.394(3) 脜] and two O atoms [Cd-O 2.240(2)-2.274(3) 脜] in a distorted octahedral geometry. The crystal structure exhibits intermol. O-H路路路O H bonds and 蟺-蟺 stacking interactions. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Reference of 6295-57-4).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. Thiazoles in peptides or their ability to bind proteins, DNA and RNA has led to many synthetic studies and new applications. Thiazole sulfonation occurs only under forcing conditions: the action of oleum at 250 掳C for 3 hours in the presence of mercury(II) sulfate leads to 65% formation of 5-thiazole sulfonic acid.Reference of 6295-57-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Head-to-head bisbenzazole derivatives as antiproliferative agents: design, synthesis, in vitro activity, and SAR analysis was written by Ersan, Ronak Haj;Alagoz, Mehmet Abdullah;Ertan-Bolelli, Tugba;Duran, Nizami;Burmaoglu, Serdar;Algul, Oztekin. And the article was included in Molecular Diversity in 2021.Computed Properties of C9H7NO2S2 This article mentions the following:

Abstract: In the present work, a series of bisbenzazole derivatives were designed and synthesized as antiproliferative agents. The antiproliferative activity of these compounds was investigated using MTT assay. Bisbenzazole derivatives showed significant antiproliferative activity against all the four tested cancer cell lines. Among the various bisbenzazole derivatives, bisbenzoxazole derivatives exhibited the most promising anticancer activity followed by bisbenzimidazole and bisbenzothiazole derivatives All the derivatives were found to be less toxic as compared to methotrexate (pos. control) in normal human cells, indicating selective and efficient antiproliferative activity of these bisbenzazole derivatives The structure-activity relationships of heteroaromatic systems and linkers present in bisbenzazole derivatives were analyzed in detail. In silico ADMET prediction revealed that bisbenzazole is a drug-like small mol. with a favorable safety profile. Compound 31 is a potential antiproliferative hit compound that exhibits unique cytotoxic activity distinct from methotrexate. Graphic abstract: Twenty-one bisbenzoxazole derivatives have been designed synthesized and evaluated to be an antiproliferative activity against four human tumor cell lines.[graphic not available: see fulltext]. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Computed Properties of C9H7NO2S2).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. The thiazole ring has been identified as a central feature of numerous natural products, perhaps the most famous example of which is epothilone. The pyridine-type nitrogen in the thiazole ring deactivates the ring for electrophilic substitution reactions, which is further reduced in acid due to protonation of the thiazole ring.Computed Properties of C9H7NO2S2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Tuberculostatics. I. 2,6-Substituted benzothiazoles was written by Ettel, Viktor;Semonsky, Miroslav;Kunak, Jiri;Cerny, Antonin. And the article was included in Chemicke Listy pro Vedu a Prumysl in 1952.Computed Properties of C9H7NO2S2 This article mentions the following:

2- and 2,6-Substituted benzothiazoles were prepared from 2-chloro-6-nitrobenzothiazole with alcoholates (method A), by the reduction of the corresponding nitro derivatives (B), from 2-chloro-6-nitrobenzothiazole with mercaptans (C), and from benzothiazolethiols with alkyl halides and halogenated acids (D). R¹, R², method, yields (%), and the m.ps. of the compounds of the general formulas I, II, and III are listed as follows: I: Bu, NO₂, A, 71, 58-9掳; Bu, NH₂, B, 73, – [HCl salt, m. 265-8掳 (decomposition)]; Bu, NHC₆H₁₁O₅ (D-galactoside), B, 59, 96-7掳; Bu, NHCO(CH₂)₂CO₂H, B, 90, 164-5掳; Bu, N:CHPh, B, 70, 77掳; Bu, NHC(:NH)NH₂, B, 68, – (picrate, m. 208-9); iso-Am, NO₂, A, 75, 58-9掳; cyclohexyl, NO₂, A, 95, 99.5-100.5掳; cyclohexyl, NH₂, B, 75, – [HCl salt, m. 295掳 (decomposition); picrate, m. 221-4掳 (decomposition)]; cyclohexyl, NHCO(CH₂)₂CO₂H, B, 90, 160-1掳; CH₂CO₂H, NO₂, 86, -(Na salt, m. 335-40掳); II: Bu, NO₂, C, 97, 91.5-2.5掳; Bu, H, C, 77, -, b₁₂ 167-8掳, n_D²⁸ 1.6226; Bu, NO₂, C, 95, 63.5-4.5掳 (BuSO₂ analog, 68, 151掳); Bu, NH₂, B, 70, – [HCl salt, m. 220掳 (decomposition); picrate, m. 136-8掳]; Bu, NHCO(CH₂)₂CO₂H, B, 83, 161.5-2.5掳; Bu, NHC₆H₁₁O₅ (D-galactoside), B, 71, 113-14掳; Bu, NHC₆H₁₁O₄ (2-deoxy-D-glucoside), B, 87, 160-2掳; Bu, N:CHPh, B, 90, 62.5-3掳; Bu, N:CHCH:CHPh, B, 73, 79-9.5掳; Bu, N:CHC:CH:CH:C(NO₂).O, B, 86, 158-9掳; Bu, SO₃Me, B, 53, 70-1掳; Bu, NHCH₂SO₃Na, B, 87, 225-8掳; iso-Am, NO₂, C, 98, 56-6.5掳; iso-Am, NH₂, B, 79, -(HCl salt, m. 195-6掳); hexyl, NO₂, D, 86, 53-4掳; hexyl, NH₂, B, 100, – [HCl salt, m. 205-10掳 (decomposition)]; PhCH₂, NO₂, C, 98, 116-17掳; PhCH₂, NH₂, B, 100, – [HCl salt, m. 280-5掳 (decomposition)]; HOCH₂CH₂, NO₂, D, 98, 113-14掳; HOCH₂CH₂, NH₂, B, -, – [HCl salt, m. 245-50掳 (decomposition)]; HO₂CCH₂, H, D, 96, 153-4掳; HO₂CCH₂, NO₂, D, 88, 213-14掳; HO₂CCH₂CH₂, NO₂, D, 95, 169-71掳; HO₂CCH₂CH₂, NH₂, B, 42, 153-4掳; HO₂C(CH₂)₅, H, D, 90, 71-2掳; HO₂C(CH₂)₅, NO₂, D, 97, 130-1掳; HO₂C(CH₂)₅, NH₂, B, 85, 137-8掳; HO₂C(CH₂)₅SO₂ analog, NO₂, -, 81, 178-9掳 (from AcOH); HO₂C(CH₂)₅, SO₃H analog, -, 84, 271-2掳 (from aqueous HCl); 1-carboxyheptadecyl, NO₂, D, 98, 76-8掳; EtO₂CCH:CHCH₂, NO₂, D, 65, 112.5-13.5掳. Unless otherwise stated, the following III were crystallized from MeOH or EtOH (concentrated or diluted) (by other methods): p-AcNHC₆H₄SO₂,H, 77, 244-5掳; p-O₂NC₆H₄S, NO₂, 90, 176-7掳 (from EtOH-Me₂CO); p-O₂NC₆H₄SO, NO₂, 90, 231-2掳 (from PhCl); p-O₂NC₆H₄SO₂, NO₂, 90, 262-4掳 (PhCl); p-H₂NC₆H₄S, NH₂, 56 [HCl salt, m. 261-3掳 (decomposition) (from dilute EtOH)]. Some of the compounds were highly tuberculostatic against Mycobacterium tuberculosis in vitro; their effect in vivo was insignificant. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Computed Properties of C9H7NO2S2).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. The thiazole ring has been identified as a central feature of numerous natural products, perhaps the most famous example of which is epothilone. There are numerous natural products that possess a thiazole ring with broad pharmacological activities. Thiamine, also known as vitamin B1, possesses a thiazole ring linked with 2-methylpyrimidine-4-amine as hydrochloride salt.Computed Properties of C9H7NO2S2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Microwave-assisted solid-phase synthesis of cephalosporin derivatives with antibacterial activity was written by Kidwai, Mazaahir;Misra, Preeti;Bhushan, Kumar R.;Saxena, Rajendra K.;Singh, Meena. And the article was included in Monatshefte fuer Chemie in 2000.Name: 2-(Benzo[d]thiazol-2-ylthio)acetic acid This article mentions the following:

The reaction of heterocyclic acids with 7-amino-cephalosporanic acid adsorbed on basic alumina under microwave irradiation afforded the N-acylated cephalosporin analogs in satisfactory yield. All compounds were tested for their antibacterial activity; some of them showed significant antibacterial properties. Cefotaxime and cephalothin were used as reference drugs. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Name: 2-(Benzo[d]thiazol-2-ylthio)acetic acid).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. Thiazoles in peptides or their ability to bind proteins, DNA and RNA has led to many synthetic studies and new applications.Various laboratory methods exist for the organic synthesis of thiazoles. For example, 2,4-dimethylthiazole is synthesized from thioacetamide and chloroacetone.Name: 2-(Benzo[d]thiazol-2-ylthio)acetic acid

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Synthesis of the (benzothiazolylthio)carboxylic acids by use of ultrasound irradiation in phase transfer catalysis medium was written by Li, Yingjun;Li, Lina;Sun, Shuqin;Hu, Zhijun;Song, Yongbo. And the article was included in Hebei Shifan Daxue Xuebao, Ziran Kexueban in 2011.Synthetic Route of C9H7NO2S2 This article mentions the following:

(Benzothiazolylthio)carboxylic acids, (2-benzothiazolylthio)acetic acid and 3-(2-benzothiazolylthio)propionic acid were synthesized by the technique of ultrasonic irradiation and phase transfer catalysis. Their structures were confirmed by IR, ¹HNMR and ¹³CNMR. The influences of the reaction temperature, the reaction time, the solvent, the catalyst and the ultrasonic irradiation on the reaction were investigated and optimum exptl. conditions were found. Compared with the literature methods, this synthetic method had such advantages as mild condition, simple operation, short reaction time, lower reaction temperature and higher yield. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Synthetic Route of C9H7NO2S2).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities. Thiazole is a versatile building block for the construction and lead generation of new drug discoveries. Numerous diazole-based compounds are in clinical use as anticancer, antileukemic, antiinflammatory, antiviral, antifungal, antirheumatic, immunomodulator, and antiparasitic agents.Synthetic Route of C9H7NO2S2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Aqua[(benzothiazol-2-ylsulfanyl)acetato-κO]bis(1,10-phenanthroline-κ²N,N’)cadmium(II) nitrate monohydrate was written by Bian, He Dong;Huang, Fu Ping;Yu, Qing;Liang, Hong. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2007.Reference of 6295-57-4 This article mentions the following:

Crystals of the title compound are triclinic, space group P1̅; Z = 2. The Cd atom is coordinated by four N atoms [Cd-N 2.376(3)-2.394(3) Å] and two O atoms [Cd-O 2.240(2)-2.274(3) Å] in a distorted octahedral geometry. The crystal structure exhibits intermol. O-H···O H bonds and π-π stacking interactions. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Reference of 6295-57-4).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. Thiazoles in peptides or their ability to bind proteins, DNA and RNA has led to many synthetic studies and new applications. Thiazole sulfonation occurs only under forcing conditions: the action of oleum at 250 °C for 3 hours in the presence of mercury(II) sulfate leads to 65% formation of 5-thiazole sulfonic acid.Reference of 6295-57-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Head-to-head bisbenzazole derivatives as antiproliferative agents: design, synthesis, in vitro activity, and SAR analysis was written by Ersan, Ronak Haj;Alagoz, Mehmet Abdullah;Ertan-Bolelli, Tugba;Duran, Nizami;Burmaoglu, Serdar;Algul, Oztekin. And the article was included in Molecular Diversity in 2021.Computed Properties of C9H7NO2S2 This article mentions the following:

Abstract: In the present work, a series of bisbenzazole derivatives were designed and synthesized as antiproliferative agents. The antiproliferative activity of these compounds was investigated using MTT assay. Bisbenzazole derivatives showed significant antiproliferative activity against all the four tested cancer cell lines. Among the various bisbenzazole derivatives, bisbenzoxazole derivatives exhibited the most promising anticancer activity followed by bisbenzimidazole and bisbenzothiazole derivatives All the derivatives were found to be less toxic as compared to methotrexate (pos. control) in normal human cells, indicating selective and efficient antiproliferative activity of these bisbenzazole derivatives The structure-activity relationships of heteroaromatic systems and linkers present in bisbenzazole derivatives were analyzed in detail. In silico ADMET prediction revealed that bisbenzazole is a drug-like small mol. with a favorable safety profile. Compound 31 is a potential antiproliferative hit compound that exhibits unique cytotoxic activity distinct from methotrexate. Graphic abstract: Twenty-one bisbenzoxazole derivatives have been designed synthesized and evaluated to be an antiproliferative activity against four human tumor cell lines.[graphic not available: see fulltext]. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Computed Properties of C9H7NO2S2).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. The thiazole ring has been identified as a central feature of numerous natural products, perhaps the most famous example of which is epothilone. The pyridine-type nitrogen in the thiazole ring deactivates the ring for electrophilic substitution reactions, which is further reduced in acid due to protonation of the thiazole ring.Computed Properties of C9H7NO2S2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Tuberculostatics. I. 2,6-Substituted benzothiazoles was written by Ettel, Viktor;Semonsky, Miroslav;Kunak, Jiri;Cerny, Antonin. And the article was included in Chemicke Listy pro Vedu a Prumysl in 1952.Computed Properties of C9H7NO2S2 This article mentions the following:

2- and 2,6-Substituted benzothiazoles were prepared from 2-chloro-6-nitrobenzothiazole with alcoholates (method A), by the reduction of the corresponding nitro derivatives (B), from 2-chloro-6-nitrobenzothiazole with mercaptans (C), and from benzothiazolethiols with alkyl halides and halogenated acids (D). R¹, R², method, yields (%), and the m.ps. of the compounds of the general formulas I, II, and III are listed as follows: I: Bu, NO₂, A, 71, 58-9°; Bu, NH₂, B, 73, – [HCl salt, m. 265-8° (decomposition)]; Bu, NHC₆H₁₁O₅ (D-galactoside), B, 59, 96-7°; Bu, NHCO(CH₂)₂CO₂H, B, 90, 164-5°; Bu, N:CHPh, B, 70, 77°; Bu, NHC(:NH)NH₂, B, 68, – (picrate, m. 208-9); iso-Am, NO₂, A, 75, 58-9°; cyclohexyl, NO₂, A, 95, 99.5-100.5°; cyclohexyl, NH₂, B, 75, – [HCl salt, m. 295° (decomposition); picrate, m. 221-4° (decomposition)]; cyclohexyl, NHCO(CH₂)₂CO₂H, B, 90, 160-1°; CH₂CO₂H, NO₂, 86, -(Na salt, m. 335-40°); II: Bu, NO₂, C, 97, 91.5-2.5°; Bu, H, C, 77, -, b₁₂ 167-8°, n_D²⁸ 1.6226; Bu, NO₂, C, 95, 63.5-4.5° (BuSO₂ analog, 68, 151°); Bu, NH₂, B, 70, – [HCl salt, m. 220° (decomposition); picrate, m. 136-8°]; Bu, NHCO(CH₂)₂CO₂H, B, 83, 161.5-2.5°; Bu, NHC₆H₁₁O₅ (D-galactoside), B, 71, 113-14°; Bu, NHC₆H₁₁O₄ (2-deoxy-D-glucoside), B, 87, 160-2°; Bu, N:CHPh, B, 90, 62.5-3°; Bu, N:CHCH:CHPh, B, 73, 79-9.5°; Bu, N:CHC:CH:CH:C(NO₂).O, B, 86, 158-9°; Bu, SO₃Me, B, 53, 70-1°; Bu, NHCH₂SO₃Na, B, 87, 225-8°; iso-Am, NO₂, C, 98, 56-6.5°; iso-Am, NH₂, B, 79, -(HCl salt, m. 195-6°); hexyl, NO₂, D, 86, 53-4°; hexyl, NH₂, B, 100, – [HCl salt, m. 205-10° (decomposition)]; PhCH₂, NO₂, C, 98, 116-17°; PhCH₂, NH₂, B, 100, – [HCl salt, m. 280-5° (decomposition)]; HOCH₂CH₂, NO₂, D, 98, 113-14°; HOCH₂CH₂, NH₂, B, -, – [HCl salt, m. 245-50° (decomposition)]; HO₂CCH₂, H, D, 96, 153-4°; HO₂CCH₂, NO₂, D, 88, 213-14°; HO₂CCH₂CH₂, NO₂, D, 95, 169-71°; HO₂CCH₂CH₂, NH₂, B, 42, 153-4°; HO₂C(CH₂)₅, H, D, 90, 71-2°; HO₂C(CH₂)₅, NO₂, D, 97, 130-1°; HO₂C(CH₂)₅, NH₂, B, 85, 137-8°; HO₂C(CH₂)₅SO₂ analog, NO₂, -, 81, 178-9° (from AcOH); HO₂C(CH₂)₅, SO₃H analog, -, 84, 271-2° (from aqueous HCl); 1-carboxyheptadecyl, NO₂, D, 98, 76-8°; EtO₂CCH:CHCH₂, NO₂, D, 65, 112.5-13.5°. Unless otherwise stated, the following III were crystallized from MeOH or EtOH (concentrated or diluted) (by other methods): p-AcNHC₆H₄SO₂,H, 77, 244-5°; p-O₂NC₆H₄S, NO₂, 90, 176-7° (from EtOH-Me₂CO); p-O₂NC₆H₄SO, NO₂, 90, 231-2° (from PhCl); p-O₂NC₆H₄SO₂, NO₂, 90, 262-4° (PhCl); p-H₂NC₆H₄S, NH₂, 56 [HCl salt, m. 261-3° (decomposition) (from dilute EtOH)]. Some of the compounds were highly tuberculostatic against Mycobacterium tuberculosis in vitro; their effect in vivo was insignificant. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Computed Properties of C9H7NO2S2).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. The thiazole ring has been identified as a central feature of numerous natural products, perhaps the most famous example of which is epothilone. There are numerous natural products that possess a thiazole ring with broad pharmacological activities. Thiamine, also known as vitamin B1, possesses a thiazole ring linked with 2-methylpyrimidine-4-amine as hydrochloride salt.Computed Properties of C9H7NO2S2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica