MDM2-IN-1 - ≥99% , CAS No.1410737-09-5

CAS: 1410737-09-5 Cat. No.: M649938 Molecular Weight: 463.33 PubChem CID: 71020634

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

MDM2-IN-1 (Compound 30) is a synthetic MDM2-p53 interaction (MDM2) inhibitor and contains the trans (D-)configuration.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

MDM2-IN-1 (Compound 30) is a synthetic MDM2-p53 interaction (MDM2) inhibitor and contains the trans (D-)configuration.

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CCC2(CC1)C3(C(C(N2)C(=O)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC3=O
• InChIKey: GQQZEPFAYBPYQU-GEQKSPFYSA-N
• INCHI: 1S/C23H21Cl2FN2O3/c24-12-7-8-14-16(11-12)27-21(31)23(14)17(13-5-4-6-15(25)18(13)26)19(20(29)30)28-22(23)9-2-1-3-10-22/h4-8,11,17,19,28H,1-3,9-10H2,(H,27,31)(H,29,30)/t17-,19+,23+/m0/s1
• Isomeric SMILES: C1CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC3=O
• PubChem CID: 71020634
• Molecular Weight: 463.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Azaspirodecane derivatives D-alpha-amino acids Indolines Pyrrolidine carboxylic acids Aralkylamines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Pyrroles Lactams Amino acids Secondary carboxylic acid amides Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Azaspirodecane - D-alpha-amino acid - Indole or derivatives - Dihydroindole - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl fluoride - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Pyrrole - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 22 mg/mL (47.48 mM; ultrasonic and warming and heat to 80°C) DMF : 10 mg/mL (21.58 mM; ultrasonic and warming and heat to 60°C)