5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide

Base Information

• Chemical Name: 5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
• CAS No.: 153042-42-3
• Molecular Formula: C₁₇H₁₉N₃O₃S
• Molecular Weight: 345.422
• DSSTox Substance ID: DTXSID60165205
• Nikkaji Number: J578.053E
• Wikidata: Q27164725
• Pharos Ligand ID: UG4ZT6CGHKUY
• ChEMBL ID: CHEMBL267458
• Mol file: 153042-42-3.mol

Synonyms:5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide;5-DDINS;BMS 182874;BMS-182874

Chemical Property of 5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide

Chemical Property:

• Vapor Pressure: 4.3E-11mmHg at 25°C
• Boiling Point: 524.5°Cat760mmHg
• PKA: 7?+-.0.50(Predicted)
• Flash Point: 271°C
• PSA: 83.82000
• Density: 1.332g/cm³
• LogP: 4.46520
• Storage Temp.: Store at RT
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 345.11471265
• Heavy Atom Count: 24
• Complexity: 534

Purity/Quality:

95% ^*data from raw suppliers

BMS-182874 hydrochloride ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
• Uses: BMS 182874 Hydrochloride, is a potent, selective, and competitive non-peptide endothelin ETAR antagonist (Ki = 48 nM). ET-A receptors are predominantly detected in peripheral tissues, especially in vascular smooth muscle tissues where they mediate vasoconstriction.

Technology Process of 5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide

There total 2 articles about 5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide 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: 78.0%

5-amino-3,4-dimethylisoxazol (19947-75-2) + 5-(dimethylamino)naphth-1-ylsulfonyl chloride (605-65-2) → BMS-182874 (153042-42-3)

Guidance literature:

With dmap; In pyridine; at 75 ℃; for 21h;

DOI:10.1021/jm00008a013

Reference yield:

→ BMS-182874 (153042-42-3)

Guidance literature:

upstream raw materials:

5-amino-3,4-dimethylisoxazol

5-(dimethylamino)naphth-1-ylsulfonyl chloride