Veliparib dihydrochloride - ≥98%(HPLC) , CAS No.912445-05-7

CAS: 912445-05-7 Cat. No.: V287757 Molecular Weight: 317.21 EC Number: 813-366-9 PubChem CID: 45480520

GRADE & PURITY ≥98%(HPLC)

Synonyms

SCHEMBL2368883 | Veliparib dihydrochloride | HMS3295I11 | SB16479 | SCHEMBL19328639 | Veliparib hydrochloride | AS-17023 | 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide--hydrogen chloride (1/2) | AMY24139 | J-505212 | 2-[(2R)-2-methylpyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Veliparib (dihydrochloride) is a potent inhibitor of PARP1 and PARP2 with Kis of 5.2 nM and 2.9 nM in cell-free assays, respectively.

Specifications

Synonyms

SCHEMBL2368883 | Veliparib dihydrochloride | HMS3295I11 | SB16479 | SCHEMBL19328639 | Veliparib hydrochloride | AS-17023 | 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide--hydrogen chloride (1/2) | AMY24139 | J-505212 | 2-[(2R)-2-methylpyr

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

High affinity PARP-2 and PARP-1 inhibitor (Kivalues are 2.9 and 5.2 nM, respectively). Inhibits repair of radiation-induced DNA damage and sensitizes lung cancer cells to radiation. Also increases autophagy and apoptosis in lung cancer cells. Enhances rad

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.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488201193
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201193
• Canonical Smiles: CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl
• IUPAC Name: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
• InChIKey: DSBSVDCHFMEYBX-FFXKMJQXSA-N
• INCHI: 1S/C13H16N4O.2ClH/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12;;/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17);2*1H/t13-;;/m1../s1
• Isomeric SMILES: C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl
• PubChem CID: 45480520
• Molecular Weight: 317.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Aralkylamines Benzenoids Pyrrolidines Imidazoles Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aralkylamine - Benzenoid - Azole - Imidazole - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 31.72, Max Conc. mM: 100; Solvent:water, Max Conc. mg/mL: 31.72, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 317.210 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 316.086 Da
• Monoisotopic Mass: 316.086 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 348.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3