220460-92-4

Basic information

• Product Name: 10-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
• Synonyms: WAY-VNA-932; VNA-932; [2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)phenyl](10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-y-)methanone
• CAS NO: 220460-92-4
• Molecular Formula: C₂₃H₁₉ClN₄O
• Molecular Weight: 402.88708
• Mol File: 220460-92-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 10-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine(CAS DataBase Reference)
• NIST Chemistry Reference: 10-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine(220460-92-4)
• EPA Substance Registry System: 10-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine(220460-92-4)

Safety Data

• Hazardous Substances Data: 220460-92-4(Hazardous Substances Data)

Usage

Chemical class

Benzodiazepine derivative

Backbone structure

Pyrrolo[2,1-c][1,4]benzodiazepine

Substituent

2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl

Potential applications

Treatment of neurological and psychiatric disorders, cancer

Studied activities

Anxiolytic, antidepressant, antitumor

Mechanism of action

Interaction with specific receptors in the central nervous system, modulation of neurotransmitter activity

Current status

Further research necessary to understand pharmacological properties and potential applications
Please note that this list is based on the provided material and may not be exhaustive. Additional research and information may be required to fully understand the properties and potential applications of this compound.

Upstream product

• 3958-60-9 2-nitrophenylmethyl bromide 
• 22162-51-2 1-(2-Nitrobenzyl)-2-pyrrolecarboxaldehyde 
• 1003-29-8 2-pyrrole aldehyde 
• 21900-54-9 2-chloro-4-fluorobenzoyl chloride 
• 85953-29-3 methyl 2-chloro-4-fluorobenzoate 
• 22162-53-4 10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine 
• 220461-68-7 2-chloro-4-(3-methyl-1H-pyrazol-1-yl)-benzoic acid 
• 220462-02-2 2-chloro-4-(3-methylpyrazol-1-yl)benzoic acid methyl ester 
• 220461-65-4 (2-Chloro-4-fluorophenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone 
• 1453-58-3 3-Methylpyrazole 
• 233755-70-9 2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl chloride 

Downstream Products

• 220461-44-9 [2-Chloro-4-(3-methyl-pyrazol-1-yl)-phenyl]-(3-dimethylaminomethyl-5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone 
• 220461-45-0 (3-bromo-5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[2-chloro-4-(3-methyl-pyrazol-1-yl)-phenyl]-methanone 
• 955402-79-6 C₂₃H₁₉ClN₄O₂ 

Relevant articles and documents

LIT-001, the First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism

Oxytocin (OT) and its receptor (OT-R) are implicated in the etiology of autism spectrum disorders (ASD), and OT-R is a potential target for therapeutic intervention. Very few nonpeptide oxytocin agonists have currently been reported. Their molecular and in vivo pharmacology remain to be clarified, and none of them has been shown to be efficient in improving social interaction in animal models relevant to ASD. In an attempt to rationalize the design of centrally active nonpeptide full agonists, we studied in a systematic way the structural determinants of the affinity and efficacy of representative ligands of the V1a and V2 vasopressin receptor subtypes (V1a-R and V2-R) and of the oxytocin receptor. Our results confirm the subtlety of the structure-affinity and structure-efficacy relationships around vasopressin/oxytocin receptor ligands and lead however to the first nonpeptide OT receptor agonist active in a mouse model of ASD after peripheral ip administration.

Vasopressin agonist formulation and process

This invention provides novel formulations for vasopressin agonist compounds, or a pharmaceutically acceptable salt thereof, having the general structure: and processes for making them, the formulations comprising from about 1% to about 20% of active ingredient, from about 1% to about 18% of a surfactant component, from about 50% to about 80% of a component of one or more polyethylene glycols, from about 1% to about 20% of a component of one or more sucrose fatty acid esters and/or polyvinylpyrrolidone and, optionally, one or more preservatives or antioxidants.