41354-03-4

Basic information

• Product Name: 1-BENZYL INDAZOLYL-3-CARBOXYLIC ACID
• Synonyms: 1-BENZYL INDAZOLYL-3-CARBOXYLIC ACID;1-BENZYL-1H-INDAZOL-3 CARBONIC ACID;1-BENZYL-1H-INDAZOLE-3-CARBONIC ACID;1-Benzyl-1H-indazole-3-carboxylic acid;1-benzylindazole-3-carboxylic acid;1-(phenylmethyl)-1H-Indazole-3-carboxylic acid;1H-Indazole-3-carboxylicacid, 1-(phenylmethyl)-
• CAS NO: 41354-03-4
• Molecular Formula: C₁₅H₁₂N₂O₂
• Molecular Weight: 252.27
• Product Categories: Indoles and derivatives
• Mol File: 41354-03-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 491.536 °C at 760 mmHg
• Flash Point: 251.072 °C
• Appearance: /
• Density: 1.27 g/cm³
• Storage Temp.: 2-8°C
• PKA: 3.11±0.10(Predicted)
• CAS DataBase Reference: 1-BENZYL INDAZOLYL-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZYL INDAZOLYL-3-CARBOXYLIC ACID(41354-03-4)
• EPA Substance Registry System: 1-BENZYL INDAZOLYL-3-CARBOXYLIC ACID(41354-03-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 41354-03-4(Hazardous Substances Data)

Usage

General Description

1-Benzyl indazolyl-3-carboxylic acid is a chemical compound that belongs to the class of indazole carboxylic acids. It is a derivative of indazole, a heterocyclic compound. 1-BENZYL INDAZOLYL-3-CARBOXYLIC ACID has a benzyl group attached to the indazole ring, and a carboxylic acid group at the 3-position. It has potential pharmaceutical applications and is being studied for its biological activities, including its potential as an anticancer agent. Its chemical structure makes it a promising candidate for further medicinal chemistry research and drug development.

Upstream product

• 43120-28-1 methyl 1H-indazole-3-carboxylate 
• 100-39-0 benzyl bromide 
• 100-44-7 benzyl chloride 
• 173600-03-8 benzyl-1H-indazole-3-carboxylic acid methyl ester 

Downstream Products

• 1345965-37-8 C₁₈H₁₇N₃O₂ 
• 1345965-56-1 C₁₉H₁₅N₃O₃ 
• 1345965-54-9 C₁₉H₁₇N₃O₃ 
• 43120-25-8 1-benzyl-1H-indazole 

Relevant articles and documents

Development of potent serotonin-3 (5-HT3) receptor antagonists. II. Structure-activity relationships of N-(1-benzyl-4-methylhexahydro-1H-1,4- diazepin-6-yl)carboxamides

Our studies on 4-amino-5-chloro-2-ethoxybenzamides led to the discovery that the N-(1,4-dimethylhexahydro-1H-1,4-diazepin-6-yl)benzamide 9 and the 1- benzyl-4-methylhexahydro-1H-1,4-diazepine analogue 10 are potent serotonin-3 (5-HT3) receptor antagonists. Structure-activity relationship (SAR) studies on the influence of the aromatic nucleus of 9 and 10 upon inhibition of the von Bezold-Jarisch reflex in rats are described. Heteroaromatic rings such as pyrrole, thiophene, furan, pyridine, pyridaziae, 1,2-benzisoxazole, indole, quinoline, and isoquinoline rings showed weak 5-HT3 receptor antagonistic activity. Within this series, use of the 1H-indazole ring as an aromatic moiety led to a substantial increase of the activity; the 1H- indazolylcarboxamides 54, 57, 97, and 102 showed potent 5-HT3 receptor antagonistic activity. The optimal compound identified via extensive SAR studies was N-(1-benzyl-4-methylhexahydro-1H-1,4-diazepin-6-yl)-1H-indazole- 3-carboxamide (54), whose effect was superior to that of the corresponding benzamide 10 and essentially equipotent to those of ondansetron (1) and granisetron (4).