Benzoic acid, 4-((((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-

Base Information

• Chemical Name: Benzoic acid, 4-((((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-
• CAS No.: 878670-61-2
• Molecular Formula: C₂₄H₁₈BrClN₄O₃S
• Molecular Weight: 557.855
• UNII: 363Z97G83I
• DSSTox Substance ID: DTXSID50143299
• Wikidata: Q83007096
• ChEMBL ID: CHEMBL1630216
• Mol file: 878670-61-2.mol

Synonyms:RDEA-806 free acid;RDEA 806;878670-61-2;RDEA-806;1004523-72-1;363Z97G83I;UNII-363Z97G83I;Benzoic acid, 4-((((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-;4-(2-(5-Bromo-4-(L-cyclopropylnaphthalen-4-yl)-4H-1,2,4-triazol-3-ylthio) acetamido-3-chlorobenzoic acid;Benzoic acid, 4-((2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-;RDEA806;4-(2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-chlorobenzoic acid;4-[[2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid;Benzoic acid, 4-[[[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-chloro-;RDEA806 FREE ACID;SCHEMBL248221;CHEMBL1630216;DTXSID50143299;MPNGLQDRSJNLPL-UHFFFAOYSA-N;AKOS040753716;4-(2-(5-bromo-4-(1-cyclopropylnaphthalen-4-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid;4-(2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid;4-[[2-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chloro-benzoic acid

Chemical Property of Benzoic acid, 4-((((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-

Chemical Property:

• PSA: 125.90000
• Density: 1.69
• LogP: 6.79230
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 555.99715
• Heavy Atom Count: 34
• Complexity: 762

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)NC5=C(C=C(C=C5)C(=O)O)Cl
• Recent ClinicalTrials: A Study of RDEA806 in Hyperuricemic Subjects With Symptomatic Gout
• Recent EU Clinical Trials: A Multicenter, Randomized, Double-Blind, Phase 2b Trial to Determine The Efficacy, Tolerability And Safety Of 3 Dose Regimens Of RDEA806 and Open-Label Efavirenz as Active Control in HIV 1-Infected, Antiretroviral Na?ve Subjects

Technology Process of Benzoic acid, 4-((((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-

There total 1 articles about Benzoic acid, 4-((((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro- 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: 34.0%

4-(2-(5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol)acetamido)-3-chlorobenzoic acid (878672-18-5) → 4-(2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol)acetamido)-3-chlorobenzoic acid (878670-61-2)

Guidance literature:

With dichloro-acetic acid; benzyltriethylammonium bromide; sodium nitrite; In 1,1-dibromomethane; at 20 ℃; for 18h;

upstream raw materials:

4-(2-(5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol)acetamido)-3-chlorobenzoic acid

Refernces