化合物信息

ID:1015

基本信息

化学结构

分子式

C₆H₆Cl₂N₂O₄S₂

分子量

305.15884

精确质量

303.91460404

电荷

InChI

InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)

InChIKey

GJQPMPFPNINLKP-UHFFFAOYSA-N

Canonic Smiles

Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N

Isomeric Smiles

Clc1c(S(=O)(=O)N)cc(S(=O)(=O)N)cc1Cl

计算属性

JChem

Acid pKa

8.442037

质子受体

质子供体

LogD (pH = 5.5)

0.3929572

LogD (pH = 7.4)

0.35977012

Log P

0.3933967

摩尔折射率

59.9834

极化性

25.071486

极化表面积

120.32

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

0.92

LOG S

-2.88

溶解度

3.98e-01 g/l

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

Diclofenamida [INN-Spanish]DiclofenamideDichlorophenamideDichlofenamideDichlorphenamidDichlorphenamideDiclofenamidum [INN-Latin]4,5-DICHLOROBENZENE-1,3-DISULFONAMIDEDichlorphenamide4,5-Dichloro-1,3-disulfamoylbenzene4,5-Dichloro-m-benzenedisulfonamideDiclofenamideAntidrasiDiclofenamidCB 8000GlaucolDaramideDaranide1,3-Disulfamyl-4,5-dichlorobenzene1,3-Disulfamoyl-4,5-dichlorobenzene3,4-Dichloro-5-sulfamylbenzenesulfonamideOratrol

IUPAC传统名

dichlorphenamide

商标名

GlaucolOratrolDasanideAntidrasiDaranide

IUPAC标准名

4,5-dichlorobenzene-1,3-disulfonamide

名称和标识

数据登录号

PubChem CID

3038

CAS号

120-97-8

PubChem SID

46505039160964478

数据登录号

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

DrugBank

DB01144

Drug Groups

approved

Description

A carbonic anhydrase inhibitor that is used in the treatment of glaucoma. [PubChem]

Indication

For adjunctive treatment of: chronic simple (open-angle) glaucoma, secondary glaucoma, and preoperatively in acute angle-closure glaucoma where delay of surgery is desired in order to lower intraocular pressure

Pharmacology

Dichlorphenamide is an oral carbonic anhydrase inhibitor indicated for adjunctive treatment of: chronic simple (open-angle) glaucoma, secondary glaucoma, and preoperatively in acute angle-closure glaucoma where delay of surgery is desired in order to lower intraocular pressure. Carbonic anhydrase inhibitors reduce intraocular pressure by partially suppressing the secretion of aqueous humor (inflow).

Affected Organisms

Humans and other mammals

Protein Binding

55%

References

• Tawil R, McDermott MP, Brown R Jr, Shapiro BC, Ptacek LJ, McManis PG, Dalakas MC, Spector SA, Mendell JR, Hahn AF, Griggs RC: Randomized trials of dichlorphenamide in the periodic paralyses. Working Group on Periodic Paralysis. Ann Neurol. 2000 Jan;47(1):46-53. [Pubmed]

• Okada S, Izumi W, Murai M, Komatsu H, Ishimitsu S: [Diclofenamide Reference Standard (Control 891) of National Institute of Hygienic Sciences] Eisei Shikenjo Hokoku. 1991;(109):148-50. [Pubmed]

External Links

• [Wikipedia]

• [RxList]

• [Drugs.com]

DB07948

Drug information: experimental

Selleck Chemicals

S2177

Research Area: Neurological Disease
Biological Activity:
Diclofenamide (Dichlorphenamide) is a sulfonamide and a carbonic anhydrase inhibitor of the meta-Disulfamoylbenzene class. It is used as an adjunct to reduce intraocular pressure in the treatment of glaucoma. [1]

TRC

D436530

Diclofenamide is a potent carbonic anhydrase inhibitor. Diclofenamide may provide a therapeutic strategy in the inhibition of the human cytosolic isoforms I and II and transmembrane tumor-associated isoenzymes IX and XII. Diclofenamide has been shown to b

描述信息

参考文献

PubChem文献

数据源提供

• Okada S, Izumi W, Murai M, Komatsu H, Ishimitsu S: [Diclofenamide Reference Standard (Control 891) of National Institute of Hygienic Sciences] Eisei Shikenjo Hokoku. 1991;(109):148-50. Pubmed

• http://en.wikipedia.org/wiki/Dichlorphenamide

• Casey, J. et al.: J. Med. Chem., 47, 2337 (2010)

• Tawil, R. et al.: Ann. Neurol., 47, 46 (2010)

• Brzozowski, Z. et al.: Eur. J. Med. Chem., 46, 3656 (2010)

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

计算属性

• RDKit

• JChem

• ALOGPS 2.1

数据来源

• 学术数据

• 产品目录

名称和标识

• 别名

• IUPAC传统名

• 商标名

• IUPAC标准名

数据登录号

• PubChem CID

• CAS号

• PubChem SID

化合物性质

• 理化性质

• 安全信息

• 产品相关信息

分子相关蛋白质

分子图谱

描述信息

• DrugBank

• Selleck Chemicals

• TRC

参考文献

• PubChem文献

• 数据源提供

生物活性

• PubChem BioAssay

别名

IUPAC传统名

dichlorphenamide

商标名

GlaucolOratrolDasanideAntidrasiDaranide

IUPAC标准名

4,5-dichlorobenzene-1,3-disulfonamide

PubChem SID

46505039160964478

理化性质

安全信息

保存条件

-20°C

Refrigerator

MSDS下载

下载链接

产品相关信息

质检报告

下载链接

DrugBank

DB01144

Drug Groups

approved

Description

A carbonic anhydrase inhibitor that is used in the treatment of glaucoma. [PubChem]

Indication

Pharmacology

Affected Organisms

Humans and other mammals

Protein Binding

55%

References

• Okada S, Izumi W, Murai M, Komatsu H, Ishimitsu S: [Diclofenamide Reference Standard (Control 891) of National Institute of Hygienic Sciences] Eisei Shikenjo Hokoku. 1991;(109):148-50. [Pubmed]

External Links

• [Wikipedia]

• [RxList]

• [Drugs.com]

DB07948

Drug information: experimental

Selleck Chemicals

S2177

TRC

D436530

数据源提供

• Okada S, Izumi W, Murai M, Komatsu H, Ishimitsu S: [Diclofenamide Reference Standard (Control 891) of National Institute of Hygienic Sciences] Eisei Shikenjo Hokoku. 1991;(109):148-50. Pubmed

• http://en.wikipedia.org/wiki/Dichlorphenamide

• Casey, J. et al.: J. Med. Chem., 47, 2337 (2010)

• Tawil, R. et al.: Ann. Neurol., 47, 46 (2010)

• Brzozowski, Z. et al.: Eur. J. Med. Chem., 46, 3656 (2010)