99519-84-3

Basic information

• Product Name: 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide
• Synonyms: 5-Amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]-1H-[1,2,3]triazole-4-carboxylic acid amide;1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE-5-AMINO-1-[[3,5-DICHLORO-4-(4-CHLOROBENZOYL)PHENYL]METHYL];carboxyamido-triazole;5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide;1-[3,5-Dichloro-4-(4-chlorobenzoyl)benzyl]-5-amino-1H-1,2,3-triazole-4-carboxamide;5-Amino-1-[4-(4-chlorobenzoyl)-3,5-dichlorobenzyl]-1H-1,2,3-triazole-4-carboxamide;L-651582;carboxyaMido-triazole(5-AMino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxaMide)
• CAS NO: 99519-84-3
• Molecular Formula: C₁₇H₁₂Cl₃N₅O₂
• Molecular Weight: 424.67
• Mol File: 99519-84-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: 200-202 °C
• Boiling Point: 685.5 °C at 760 mmHg
• Flash Point: 368.3 °C
• Appearance: white to beige/
• Density: 1.65g/cm³
• Vapor Pressure: 1.22E-18mmHg at 25°C
• Refractive Index: 1.73
• Storage Temp.: Store at +4°C
• Solubility: DMSO: soluble10mg/mL (clear solution)
• PKA: 14.16±0.50(Predicted)
• CAS DataBase Reference: 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide(99519-84-3)
• EPA Substance Registry System: 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide(99519-84-3)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 99519-84-3(Hazardous Substances Data)

Usage

Uses

Carboxyamidotriazole is an orally active calcium channel blocker. Carboxyamidotriazole also exhibits inhibition of pro-inflammatory cytokines in tumor associated macrophages as potential anti-cancer m echanism.

Biological Activity

Orally active Ca 2+ channel blocker; inhibits K + - and carbachol-stimulated Ca 2+ influx (IC 50 values are 500 and 935 nM respectively). Exhibits antiproliferative, antiangiogenic and antimetastatic activity in vivo and displays selectivity towards numerous mismatch repair-deficient tumor cell lines in vitro .

InChI:InChI=1/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)

Upstream product

• 99520-09-9 (4-(((tert-butyldimethylsilyl)oxy)methyl)-2,6-dichlorophenyl)(4-chlorophenyl)methanone 
• 60211-57-6 3,5-dichlorobenzyl alcohol 
• 99508-25-5 (4-chlorophenyl)(2,6-dichloro-4-(hydroxymethyl)phenyl)methanone 
• 99508-26-6 (4-(azidomethyl)-2,6-dichlorophenyl)(4-chlorophenyl)methanone 
• 99508-24-4 (4-(bromomethyl)-2,6-dichlorophenyl)(4'-chlorophenyl)methanone 
• 99508-23-3 2',6',4''-trichloro-4'-methylbenzophenone 
• 99508-22-2 2,6-dichloro-4-methylbenzoyl chloride 
• 99520-05-5 2,6-dichloro-4-methylbenzoic acid 
• 122-01-0 4-chloro-benzoyl chloride 
• 25186-47-4 3,5-dichlorotoluene 
• 107-91-5 cyanoacetic acid amide 

Downstream Products

• 154087-05-5 5-benzamido-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide 
• 187739-60-2 5-amino-1-(4-[4-chlorobenzoyl]-3,5-dichlorobenzyl)-1,2,3-triazole-4 carboxamide orotate 

Relevant articles and documents

Method for synthesizing carboxamide triazole

The invention relates to a method for synthesizing carboxamide triazole. The method for synthesizing carboxamide triazole comprises the following steps: (1) sequentially carrying out halogenation reaction and azide substitution reaction by adopting a one-

Preparation of Solid Polyfunctional Alkynylzinc Pivalates with Enhanced Air and Moisture Stability for Organic Synthesis

We report the preparation of solid and air-stable polyfunctionalized alkynylzinc pivalates from the corresponding alkynes using TMPZnOPiv (TMP=2,2,6,6-tetramethylpiperidyl) as base. These organozinc pivalates are obtained as powders under mild conditions

NOVEL COMPOSITIONS AND PROCESSES FOR PREPARING 5-AMINO OR SUBSTITUTED AMINO 1,2,3-TRIAZOLES AND TRIAZOLE OROTATE FORMULATIONS

New polymorphs of 5-amino or substituted amino 1, 2, 3-triazole and substituted derivatives thereof, of orotates of the carboxyamidotriazoles, of formulations of the triazoles and orotic acid in the ratio of 1:1 to 1:4 (base:acid) and of safer processes o