CAS 59804-37-4|4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-carboxamide|4-Hydroxy-2-methyl-N-pyridin-2-yl-2H-thieno[2,3-e][1,2]thiazine-3-carboxami...

基本信息

化学结构

分子式

C₁₃H₁₁N₃O₄S₂

分子量

337.37414

精确质量

337.01909785

电荷

InChI

InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)

InChIKey

LZNWYQJJBLGYLT-UHFFFAOYSA-N

Canonic Smiles

O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1

Isomeric Smiles

N1(C(=C(c2c(S1(=O)=O)ccs2)O)C(=O)Nc1ncccc1)C

计算属性

JChem

LogD (pH = 7.4)

-1.81

LogD (pH = 5.5)

-0.55

Log P

0.32

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

3.53

极化表面积

99.60

极化性

31.96

摩尔折射率

83.93

LOG S

-3.17

数据来源

名称和标识

IUPAC标准名

4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-carboxamide 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ⁶-thieno[2,3-e][1,2]thiazine-3-carboxamide 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ⁶,5,2-thieno[2,3-e][1λ⁶,2]thiazine-3-carboxamide 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ⁶-thieno[2,3-e][1,2]thiazine-3-carboxamide

别名

4-Hydroxy-2-methyl-N-pyridin-2-yl-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxideTenoxicamMobiflexTenoxicam(Mobiflex)RexalganTenoxicam4-Hydroxy-2-methyl-N-2-pyridinyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-DioxideLimanTilatilRo 12-0068EpicotilOxamen-LDolmenTilcotilSoralAlganex4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-dioxide4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxideTenoxicam4-Hydroxy-2-methyl-N-2-pyridinyl-2H-thieno(2,3-e)-1,2-thiazine-3-carboxamide 1,1-dioxidetenoxicam

IUPAC传统名

@tenoxicam tenoxicam 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ⁶,5,2-thieno[2,3-e][1λ⁶,2]thiazine-3-carboxamide 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-1lambda6-thieno[2,3-e][1,2]thiazine-3-carboxamide

国际非专利药品(INN)

tenoxicamtenoxicamum

商标名

TilcotilMobiflex

名称和标识

数据登录号

CAS号

59804-37-4

PubChem SID

24899922162074561170474160

MDL号

MFCD00083502

PubChem CID

54677971

PubMed文献链接

21777594240376552230639422182582226759552816621723480456211294612409371121981557213278132287695623656309232739402320462021682312233403272171261922095696219295272393219822841852

SureChEMBL数据库

SCHEMBL25343

BRENDA数据库

3.1.1.251.8.1.73.1.1.23.1.8.1

BindingDB数据库

CompTox数据库

ACToR数据库

CHEMBL

DrugBank ID

BKMS React数据库

MetaboLights数据库

专利号

US2008014272US4687766

CHEBI ID

维基百科标题

BRENDA Ligand数据库

KEGG DRUG Database

Reaxys Registry

Drug Central Database

2,595

数据登录号

化合物性质

理化性质

熔点

209-213°C (dec)

溶解度

Dimethyl Sulfoxide

外观

Yellow Solid

药理学性质

生物活性机理

Non-selective COX inhibitor

作用靶点

Others

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

Sigma Aldrich

T0909

Biochem/physiol Actions
Non-steroidal antiinflammatory drug (NSAID) with comparatively low risk of renal or hepatic toxicity.1

TRC

T019500

Nonsteroidal anti-inflamatory agent.

ChEBI

CHEBI:32192

A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries.

描述信息

参考文献

PubChem文献

数据源提供

• Al-Obaid, A.M., et al.: Anal. Profiles Drug Subs. Excip., 22, 431 (1982)

• Bird, H.A., et al.: Curr. Med. Res. Opin., 8, 9 (1982)

• Gonzalez, J.P., et al.: Drugs, 34, 289 (1982)

• Tsai, R. et al., Helv. Chim. Acta, 1993, 76, 842, (props)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 35

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, TAL485

• Binder, D. et al., J. Med. Chem., 1987, 30, 678, (synth)

• Todd, P.A. et al., Drugs, 1991, 41, 625, (rev)

• Al-Obaid, A.M. et al., Anal. Profiles Drug Subst., 1993, 22, 431, (rev)

• Nilsen, O.G., Clin. Pharmacokinet., 1994, 26, 16, (rev, pharmacokinet)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 7th edn., Akademie-Verlag, 1994, 3340, (synonyms)

• Ger. Pat., 1976, Hoffmann-La Roche, 2 537 070; CA, 85, 63077f, (synth, pharmacol)

• Bird, H.A., Scand. J. Rheumatol., Suppl. 73, 1988, 22, (clin trial, rev)

• Drug Invest., (Suppl. 3), 1990, 2, 1

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

别名

IUPAC传统名

国际非专利药品(INN)

tenoxicamtenoxicamum

商标名

TilcotilMobiflex

数据登录号

CAS号

59804-37-4

PubChem SID

24899922162074561170474160

MDL号

MFCD00083502

PubChem CID

54677971

PubMed文献链接

21777594240376552230639422182582226759552816621723480456211294612409371121981557213278132287695623656309232739402320462021682312233403272171261922095696219295272393219822841852

SureChEMBL数据库

SCHEMBL25343

BRENDA数据库

3.1.1.251.8.1.73.1.1.23.1.8.1

BindingDB数据库

CompTox数据库

ACToR数据库

CHEMBL

DrugBank ID

BKMS React数据库

MetaboLights数据库

专利号

US2008014272US4687766

CHEBI ID

维基百科标题

BRENDA Ligand数据库

KEGG DRUG Database

Reaxys Registry

Drug Central Database

2,595

化合物性质

理化性质

熔点

209-213°C (dec)

溶解度

Dimethyl Sulfoxide

外观

Yellow Solid

药理学性质

生物活性机理

Non-selective COX inhibitor

作用靶点

Others

描述信息

Sigma Aldrich

T0909

Biochem/physiol Actions
Non-steroidal antiinflammatory drug (NSAID) with comparatively low risk of renal or hepatic toxicity.1

TRC

T019500

Nonsteroidal anti-inflamatory agent.

ChEBI

CHEBI:32192

参考文献

PubChem文献

数据源提供

• Al-Obaid, A.M., et al.: Anal. Profiles Drug Subs. Excip., 22, 431 (1982)

• Bird, H.A., et al.: Curr. Med. Res. Opin., 8, 9 (1982)

• Gonzalez, J.P., et al.: Drugs, 34, 289 (1982)

• Tsai, R. et al., Helv. Chim. Acta, 1993, 76, 842, (props)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 35

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, TAL485

• Binder, D. et al., J. Med. Chem., 1987, 30, 678, (synth)

• Todd, P.A. et al., Drugs, 1991, 41, 625, (rev)

• Al-Obaid, A.M. et al., Anal. Profiles Drug Subst., 1993, 22, 431, (rev)

• Nilsen, O.G., Clin. Pharmacokinet., 1994, 26, 16, (rev, pharmacokinet)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 7th edn., Akademie-Verlag, 1994, 3340, (synonyms)

• Ger. Pat., 1976, Hoffmann-La Roche, 2 537 070; CA, 85, 63077f, (synth, pharmacol)

• Bird, H.A., Scand. J. Rheumatol., Suppl. 73, 1988, 22, (clin trial, rev)

• Drug Invest., (Suppl. 3), 1990, 2, 1

生物活性

PubChem BioAssay

化合物信息

ID:87521