ChemSpider 2D Image | CHIR124 | C23H22ClN5O

CHIR124

  • Molecular FormulaC23H22ClN5O
  • Average mass419.907 Da
  • Monoisotopic mass419.151276 Da
  • ChemSpider ID23270845

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Quinolinone, 4-[(3S)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloro- [ACD/Index Name]
2-quinolinol, 4-[(3S)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloro-
4-[(3S)-1-Azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chlor-2(1H)-chinolinon [German] [ACD/IUPAC Name]
4-[(3S)-1-Azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
4-[(3S)-1-Azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloro-2(1H)-quinolinone [ACD/IUPAC Name]
4-[(3S)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloroquinolin-2-ol
405168-58-3 [RN]
5K64W8EU3E
CHIR124
CHIR-124
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-13263
      Cell Cycle/DNA Damage; MedChem Express HY-13263
      Checkpoint Kinase (Chk) MedChem Express HY-13263
      CHIR-124 is a novel and potent Chk1 inhibitor with IC50 of 0.3 nM; 2,000-fold selectivity against Chk2, 500- to 5,000-fold less activity against CDK2/4 and Cdc2.; IC50 Value: 0.3 nM; Target: Chk1; in vivo: CHIR-124 is a quinolone-based small molecule that is structurally unrelated to other known inhibitors of Chk1. MedChem Express HY-13263
      CHIR-124 is a novel and potent Chk1 inhibitor with IC50 of 0.3 nM; 2,000-fold selectivity against Chk2, 500- to 5,000-fold less activity against CDK2/4 and Cdc2.;IC50 Value: 0.3 nM;Target: Chk1;In vivo: CHIR-124 is a quinolone-based small molecule that is structurally unrelated to other known inhibitors of Chk1. CHIR-124 interacts synergistically with topoisomerase poisons (e.g., Camptothecin or SN-38) in causing growth inhibition in a variety of cancer cell lines, including breast carcinoma (MDA-MB-231 and MDA-MB-435) and colon carcinoma (SW-620 and Colo205), all of which contains the mutant p53 gene. CHIR-124 abrogates the SN-38-induced S and G2-M checkpoints and potentiates apoptosis in MDA-MD-435 breast cancer cells. The abrogation of the G2-Mcheckpoint and induction of apoptosis by CHIR-124 are enhanced by the loss of p53. CHIR-124 also potently targets other kinases such as PDGFR and Flt3 with IC50 of 6.6 nM and 5.8 nM, respectively. ;In vivo: CHIR-124 potentiates the growth MedChem Express HY-13263

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 73 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 285.9±5.0 cm3

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