Mutant IDH1-IN-4 - ≥99% , CAS No.1416270-18-2

CAS: 1416270-18-2 Cat. No.: M646434 Molecular Weight: 438.56 PubChem CID: 71119107

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Mutant IDH1-IN-4 (compound 434) is an inhibitor of mutant Isocitrate dehydrogenase 1 (IDH 1) , with IC 50 values of ≤ 0.5 μM for mutant IDH1 in R132H, HT1080 and U87R132H cells

Form:Solid

IC50& Target:IC50: ≤ 0.5 μM (mutant IDH 1 in cells)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Mutant IDH1-IN-4 (compound 434) is an inhibitor of mutant Isocitrate dehydrogenase 1 (IDH 1) , with IC 50 values of ≤ 0.5 μM for mutant IDH1 in R132H, HT1080 and U87R132H cells.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1(CC2=C(CO1)C(=NC(=C2C#N)N3CCN(C(C3)C4CC4)C(=O)CCOC)C5CC5)C
• IUPAC Name: 8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• InChIKey: GNDMXEAGAZOBEM-NRFANRHFSA-N
• INCHI: 1S/C25H34N4O3/c1-25(2)12-18-19(13-26)24(27-23(17-6-7-17)20(18)15-32-25)28-9-10-29(22(30)8-11-31-3)21(14-28)16-4-5-16/h16-17,21H,4-12,14-15H2,1-3H3/t21-/m0/s1
• Isomeric SMILES: CC1(CC2=C(CO1)C(=NC(=C2C#N)N3CCN([C@@H](C3)C4CC4)C(=O)CCOC)C5CC5)C
• PubChem CID: 71119107
• Molecular Weight: 438.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Pyranopyridines Dialkylarylamines Aminopyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Pyranopyridine - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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