化合物信息

ID:747

基本信息

化学结构

分子式

C₁₀H₁₆N₂O₄S₃

分子量

324.44004

精确质量

324.02722

电荷

InChI

InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)

InChIKey

IAVUPMFITXYVAF-UHFFFAOYSA-N

Canonic Smiles

CCNC1CC(C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N

Isomeric Smiles

S1(=O)(=O)C(CC(NCC)c2c1sc(S(=O)(=O)N)c2)C

计算属性

JChem

Acid pKa

8.1842785

质子受体

质子供体

LogD (pH = 5.5)

-1.5705113

LogD (pH = 7.4)

-0.15743962

Log P

-0.15111351

摩尔折射率

72.4611

极化性

30.45586

极化表面积

106.33

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

-0.5

LOG S

-2.67

溶解度

6.99e-01 g/l

数据来源

学术数据

数据来源

名称和标识

别名

Dorzolamide

IUPAC标准名

4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1$l^{6},7-thieno[2,3-b][1$l^{6}]thiopyran-6-sulfonamide 4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1λ⁶,7-thieno[2,3-b][1λ⁶]thiopyran-6-sulfonamide

IUPAC传统名

dorzolamide

商标名

Trusopt

名称和标识

数据登录号

Medline Plus

CHEMBL

KEGG ID

ATC码

CAS号

130693-82-2120279-96-1

DrugBank ID

维基百科标题

PubChem CID

Chemspider ID

CHEBI ID

美国药典/FDA物质标识码

PubChem SID

数据登录号

化合物性质

理化性质

疏水性(logP)

-1

药理学性质

给药途径

Topical (eye drops)

法定药品分级

Rx-only (US)

半衰期

4 months

妊娠期药物分类

C (US)

蛋白结合率

~33%

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

DB00869

Drug Groups

approved

Description

Dorzolamide is a carbonic anhydrase (CA) inhibitor. It is used in ophthalmic solutions (Trusopt) to lower intraocular pressure (IOP) in open-angle glaucoma and ocular hypertension.

Indication

For the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma. Also used prophylatically for the inhibition of perioperative IOP increase (before neodynium yttrium aluminum garnet laser posterior capsulotomy).

Pharmacology

Dorzolamide is topical CA inhibitor that is indicated for the reduction of elevated IOP in patients with open-angle glaucoma or ocular hypertension who are insufficiently responsive to beta-blockers. Dorzolamide reduces IOP by approximately 17-23% in patients with elevater IOP.

Toxicity

Dizziness, headache, shortness of breath, slow heartbeat, severe asthma, cardiac arrest

Affected Organisms

Humans and other mammals

Half Life

4 months

Protein Binding

~33%

Elimination

Dorzolamide is primarily excreted unchanged in the urine; the metabolite also is excreted in urine.

References

• Plummer CE, MacKay EO, Gelatt KN: Comparison of the effects of topical administration of a fixed combination of dorzolamide-timolol to monotherapy with timolol or dorzolamide on IOP, pupil size, and heart rate in glaucomatous dogs. Vet Ophthalmol. 2006 Jul-Aug;9(4):245-9. [Pubmed]

• Grover S, Apushkin MA, Fishman GA: Topical dorzolamide for the treatment of cystoid macular edema in patients with retinitis pigmentosa. Am J Ophthalmol. 2006 May;141(5):850-8. Epub 2006 Mar 20. [Pubmed]

• Almeida GC Jr, Faria e Souza SJ: Effect of topical dorzolamide on rabbit central corneal thickness. Braz J Med Biol Res. 2006 Feb;39(2):277-81. Epub 2006 Feb 2. [Pubmed]

• Martens-Lobenhoffer J, Banditt P: Clinical pharmacokinetics of dorzolamide. Clin Pharmacokinet. 2002;41(3):197-205. [Pubmed]

• Balfour JA, Wilde MI: Dorzolamide. A review of its pharmacology and therapeutic potential in the management of glaucoma and ocular hypertension. Drugs Aging. 1997 May;10(5):384-403. [Pubmed]

• Ponticello GS, Sugrue MF, Plazonnet B, Durand-Cavagna G: Dorzolamide, a 40-year wait. From an oral to a topical carbonic anhydrase inhibitor for the treatment of glaucoma. Pharm Biotechnol. 1998;11:555-74. [Pubmed]

External Links

• [Wikipedia]

• [RxList]

• [Drugs.com]

Wikipedia

Dorzolamide

描述信息

参考文献

PubChem文献

数据源提供

• Balfour JA, Wilde MI: Dorzolamide. A review of its pharmacology and therapeutic potential in the management of glaucoma and ocular hypertension. Drugs Aging. 1997 May;10(5):384-403. Pubmed

• Martens-Lobenhoffer J, Banditt P: Clinical pharmacokinetics of dorzolamide. Clin Pharmacokinet. 2002;41(3):197-205. Pubmed

• Almeida GC Jr, Faria e Souza SJ: Effect of topical dorzolamide on rabbit central corneal thickness. Braz J Med Biol Res. 2006 Feb;39(2):277-81. Epub 2006 Feb 2. Pubmed

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

名称和标识

• 别名

• IUPAC标准名

• IUPAC传统名

• 商标名

数据登录号

• Medline Plus

• CHEMBL

• KEGG ID

• ATC码

• CAS号

• DrugBank ID

• 维基百科标题

• PubChem CID

• Chemspider ID

• CHEBI ID

• 美国药典/FDA物质标识码

• PubChem SID

数据登录号

化合物性质

• 理化性质

• 药理学性质

分子相关蛋白质

分子图谱

描述信息

• DrugBank

• Wikipedia

参考文献

• PubChem文献

• 数据源提供

生物活性

• PubChem BioAssay

IUPAC标准名

4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1$l^{6},7-thieno[2,3-b][1$l^{6}]thiopyran-6-sulfonamide 4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1λ⁶,7-thieno[2,3-b][1λ⁶]thiopyran-6-sulfonamide

IUPAC传统名

dorzolamide

Medline Plus

维基百科标题

PubChem CID

Chemspider ID

美国药典/FDA物质标识码

PubChem SID

理化性质

疏水性(logP)

-1

药理学性质

给药途径

Topical (eye drops)

法定药品分级

Rx-only (US)

半衰期

4 months

妊娠期药物分类

C (US)

蛋白结合率

~33%

DrugBank

DB00869

Drug Groups

approved

Description

Dorzolamide is a carbonic anhydrase (CA) inhibitor. It is used in ophthalmic solutions (Trusopt) to lower intraocular pressure (IOP) in open-angle glaucoma and ocular hypertension.

Indication

Pharmacology

Toxicity

Dizziness, headache, shortness of breath, slow heartbeat, severe asthma, cardiac arrest

Affected Organisms

Humans and other mammals

Half Life

4 months

Protein Binding

~33%

Elimination

Dorzolamide is primarily excreted unchanged in the urine; the metabolite also is excreted in urine.

References

• Almeida GC Jr, Faria e Souza SJ: Effect of topical dorzolamide on rabbit central corneal thickness. Braz J Med Biol Res. 2006 Feb;39(2):277-81. Epub 2006 Feb 2. [Pubmed]

• Martens-Lobenhoffer J, Banditt P: Clinical pharmacokinetics of dorzolamide. Clin Pharmacokinet. 2002;41(3):197-205. [Pubmed]

• Balfour JA, Wilde MI: Dorzolamide. A review of its pharmacology and therapeutic potential in the management of glaucoma and ocular hypertension. Drugs Aging. 1997 May;10(5):384-403. [Pubmed]

External Links

• [Wikipedia]

• [RxList]

• [Drugs.com]

数据源提供

• Balfour JA, Wilde MI: Dorzolamide. A review of its pharmacology and therapeutic potential in the management of glaucoma and ocular hypertension. Drugs Aging. 1997 May;10(5):384-403. Pubmed

• Martens-Lobenhoffer J, Banditt P: Clinical pharmacokinetics of dorzolamide. Clin Pharmacokinet. 2002;41(3):197-205. Pubmed

• Almeida GC Jr, Faria e Souza SJ: Effect of topical dorzolamide on rabbit central corneal thickness. Braz J Med Biol Res. 2006 Feb;39(2):277-81. Epub 2006 Feb 2. Pubmed