O-Desmethyl Brinzolamide

Base Information

• Chemical Name: O-Desmethyl Brinzolamide
• CAS No.: 186377-56-0
• Molecular Formula: C₁₁H₁₉N₃O₅S₃
• Molecular Weight: 369.487
• UNII: 6MHY973FEJ
• Pharos Ligand ID: NPW5BDRV34BH
• ChEMBL ID: CHEMBL3415384
• Mol file: 186377-56-0.mol

Synonyms:O-Desmethyl Brinzolamide;186377-56-0;o-Desmethyl-brinzolamide;6MHY973FEJ;CHEMBL3415384;AL-4930;(4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(R)-4-(Ethylamino)-2-(3-hydroxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide;2H-Thieno(3,2-E)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-hydroxypropyl)-, 1,1-dioxide, (4R)-;2H-Thieno(3,2-E)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-hydroxypropyl)-, 1,1-dioxide, (R)- (9ci);UNII-6MHY973FEJ;SCHEMBL4750628;BDBM50078642;PD150649

Chemical Property of O-Desmethyl Brinzolamide

Chemical Property:

• Melting Point: >38°C (dec.)
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 369.04868424
• Heavy Atom Count: 22
• Complexity: 583

Purity/Quality:

98% ^*data from raw suppliers

O-DesmethylBrinzolamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCO
• Isomeric SMILES: CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCO
• Uses: O-Desmethyl Brinzolamide is a derivative of Brinzolamide (B677601), a carbonic anhydrase inhibitor that is used as an ocular topical treatment for patients experiencing intraocular pressure. Brinzolamide reduces pressure by reducing the rate of aqueous humour formation.

Technology Process of O-Desmethyl Brinzolamide

There total 1 articles about O-Desmethyl Brinzolamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 66.0%

brinzolamide (138890-62-7,138890-50-3) → (R)-4-(ethylamino)-2-(3-hydroxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide1,1-dioxide (186377-56-0)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 25 ℃; for 24.1667h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b00043

upstream raw materials:

brinzolamide

Refernces

• 1、 -. "THIENO [3, 2-E] [1, 2] THIAZINE DERIVATIVE AS INHIBITOR OF CARBONIC ANHYDRASE". Page/Page column 22-23. . Retrieved 2008/12/04.