CAS 14222-60-7|protionamide|2-Propylpyridine-4-carbothioamide|2-propylpyridine-4-carbothioamide|Protionamide (Prothionamide)|prothionamide|Tebeform|2-Propylthioisonicotinamide|Ektebin|RP 9778|Tubere...

基本信息

化学结构

分子式

C₉H₁₂N₂S

分子量

180.26998

精确质量

180.07211939

电荷

InChI

InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)

InChIKey

VRDIULHPQTYCLN-UHFFFAOYSA-N

Canonic Smiles

CCCc1cc(ccn1)C(=S)N

Isomeric Smiles

c1cc(cc(n1)CCC)C(=S)N

计算属性

JChem

Acid pKa

11.8895855

质子受体

质子供体

LogD (pH = 5.5)

1.665212

LogD (pH = 7.4)

1.7710233

Log P

1.772558

摩尔折射率

54.7898

极化性

21.097864

极化表面积

38.91

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

2-Propylpyridine-4-carbothioamideProtionamide (Prothionamide)ProtionTH 1321Prothionamide9778 R. P.Ektebin2-PropylisonicotinylthioamideProtionamideTrevintixTebeform2-Propyl-4-pyridinecarbothioamideTuberexRP 9778Protionizina2-PropylthioisonicotinamideProtionamidProtionamide

IUPAC传统名

protionamide prothionamide 2-propylpyridine-4-carbothioamide

IUPAC标准名

2-propylpyridine-4-carbothioamide

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

数据登录号

化合物性质

理化性质

Methanol

DMSO

133-135°C

Yellow Solid

药理学性质

Cell proliferation inhibitor

Others

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

TRC

P839100

An anti-tuberculosis agent. It has also been used to treat Leprosy. Antibacterial (tuberculostatic).

描述信息

参考文献

PubChem文献

数据源提供

• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2010)

• van Ingen, J., et al.: Int. J. Antimicrob. Agents, 35, 169 (2010)

• Fourches, D., et al.: Chem. Res. Toxicol., 23, 171 (2010)

• Upadysdeva, A.V. et al., Zh. Org. Khim., 1976, 12, 687, (synth)

• Il'in, A.M., Farmakol. Toksikol. (Moscow), 1975, 38, 471, (pharmacol)

• Libermann, D. et al., Bull. Soc. Chim. Fr., 1958, 687, (synth, pharmacol)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 1256

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 195

• Colleter, J.C. et al., Acta Cryst. B, 1970, 26, 1510, (cryst struct)

• Kalabukha, A.V. et al., Mikrobiol. Zh. (Kiev), 1972, 34, 778, (pharmacol)

• Yakhontov, L.N. et al., Khim.-Farm. Zh., 1976, 10, 96

• Kim, H.I. et al., CA, 1977, 86, 121115

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PNW750

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC传统名

protionamide prothionamide 2-propylpyridine-4-carbothioamide

IUPAC标准名

2-propylpyridine-4-carbothioamide

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

描述信息

P839100

An anti-tuberculosis agent. It has also been used to treat Leprosy. Antibacterial (tuberculostatic).

参考文献

PubChem文献

数据源提供

• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2010)

• van Ingen, J., et al.: Int. J. Antimicrob. Agents, 35, 169 (2010)

• Fourches, D., et al.: Chem. Res. Toxicol., 23, 171 (2010)

• Upadysdeva, A.V. et al., Zh. Org. Khim., 1976, 12, 687, (synth)

• Il'in, A.M., Farmakol. Toksikol. (Moscow), 1975, 38, 471, (pharmacol)

• Libermann, D. et al., Bull. Soc. Chim. Fr., 1958, 687, (synth, pharmacol)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 1256

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 195

• Colleter, J.C. et al., Acta Cryst. B, 1970, 26, 1510, (cryst struct)

• Kalabukha, A.V. et al., Mikrobiol. Zh. (Kiev), 1972, 34, 778, (pharmacol)

• Yakhontov, L.N. et al., Khim.-Farm. Zh., 1976, 10, 96

• Kim, H.I. et al., CA, 1977, 86, 121115

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PNW750

生物活性

PubChem BioAssay

化合物性质

理化性质

Methanol

DMSO

133-135°C

Yellow Solid

药理学性质

Cell proliferation inhibitor

Others

化合物信息

ID:56057