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138890-62-7 分子结构
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(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide

ChemBase编号:1064
分子式:C12H21N3O5S3
平均质量:383.50724
单一同位素质量:383.06433379
SMILES和InChIs

SMILES:
S1(=O)(=O)N(C[C@H](NCC)c2c1sc(S(=O)(=O)N)c2)CCCOC
Canonical SMILES:
COCCCN1C[C@H](NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
InChI:
InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
InChIKey:
HCRKCZRJWPKOAR-JTQLQIEISA-N

引用这个纪录

CBID:1064 http://www.chembase.cn/molecule-1064.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide
IUPAC传统名
brinzolamide
商标名
Azopt
别名
Brinzolamide
CAS号
138890-62-7
PubChem SID
160964527
46507071
PubChem CID
68844

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
DrugBank DB01194 external link
PubChem 68844 external link
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 8.194564  质子受体
质子供体 LogD (pH = 5.5) -1.7519147 
LogD (pH = 7.4) -0.5946276  Log P -0.67452025 
摩尔折射率 87.1995 cm3 极化性 36.01203 Å3
极化表面积 118.8 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -0.65  LOG S -2.73 
溶解度 7.13e-01 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
疏水性(logP)
-1.8 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB01194 external link
Item Information
Drug Groups approved
Description Brinzolamide is a highly specific, non-competitive, reversible carbonic anhydrase inhibitor. Carbonic anhydrase (CA) is an enzyme found in many tissues of the body including the eye. It catalyzes the reversible reaction involving the hydration of carbon dioxide and the dehydration of carbonic acid. In humans, carbonic anhydrase exists as a number of isoenzymes, the most active being carbonic anhydrase II (CA-II). Inhibition of carbonic anhydrase in the ciliary processes of the eye decreases aqueous humor secretion, presumably by slowing the formation of bicarbonate ions with subsequent reduction in sodium and fluid transport. The result is a reduction in intraocular pressure. Brinzolamide is indicated in the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma.
Indication For the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma.
Pharmacology Used in the treatment of glaucoma, brinzolamide inhibits aqueous humor formation and reduces elevated intraocular pressure. Elevated intraocular pressure is a major risk factor in the pathogenesis of optic nerve damage and glaucomatous visual field loss. Brinzolamide can decrease intraocular pressure by approximately 16-19% in patients with elevated intraocular pressure.
Affected Organisms
Humans and other mammals
Biotransformation Ophthalmic
Absorption Absorbed into systemic circulation following topical ocular application
Half Life 111 days
Protein Binding Approximately 60%.
References
Ermis SS, Ozturk F, Inan UU: Comparing the effects of travoprost and brinzolamide on intraocular pressure after phacoemulsification. Eye. 2005 Mar;19(3):303-7. [Pubmed]
Iester M, Altieri M, Michelson G, Vittone P, Traverso CE, Calabria G: Retinal peripapillary blood flow before and after topical brinzolamide. Ophthalmologica. 2004 Nov-Dec;218(6):390-6. [Pubmed]
Kaup M, Plange N, Niegel M, Remky A, Arend O: Effects of brinzolamide on ocular haemodynamics in healthy volunteers. Br J Ophthalmol. 2004 Feb;88(2):257-62. [Pubmed]
Iester M: Brinzolamide ophthalmic suspension: a review of its pharmacology and use in the treatment of open angle glaucoma and ocular hypertension. Clin Ophthalmol. 2008 Sep;2(3):517-23. [Pubmed]
DeSantis L: Preclinical overview of brinzolamide. Surv Ophthalmol. 2000 Jan;44 Suppl 2:S119-29. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • DeSantis L: Preclinical overview of brinzolamide. Surv Ophthalmol. 2000 Jan;44 Suppl 2:S119-29. Pubmed
  • Ermis SS, Ozturk F, Inan UU: Comparing the effects of travoprost and brinzolamide on intraocular pressure after phacoemulsification. Eye. 2005 Mar;19(3):303-7. Pubmed
  • Iester M, Altieri M, Michelson G, Vittone P, Traverso CE, Calabria G: Retinal peripapillary blood flow before and after topical brinzolamide. Ophthalmologica. 2004 Nov-Dec;218(6):390-6. Pubmed
  • Kaup M, Plange N, Niegel M, Remky A, Arend O: Effects of brinzolamide on ocular haemodynamics in healthy volunteers. Br J Ophthalmol. 2004 Feb;88(2):257-62. Pubmed
  • Iester M: Brinzolamide ophthalmic suspension: a review of its pharmacology and use in the treatment of open angle glaucoma and ocular hypertension. Clin Ophthalmol. 2008 Sep;2(3):517-23. Pubmed
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专利

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