ChemSpider 2D Image | BMS-863233 | C14H12ClN3O2

BMS-863233

  • Molecular FormulaC14H12ClN3O2
  • Average mass289.717 Da
  • Monoisotopic mass289.061798 Da
  • ChemSpider ID28508270

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1169558-38-6 [RN]
8-Chlor-2-[(2S)-2-pyrrolidinyl][1]benzofuro[3,2-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
8-Chloro-2-[(2S)-2-pyrrolidinyl][1]benzofuro[3,2-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
8-Chloro-2-[(2S)-2-pyrrolidinyl][1]benzofuro[3,2-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Benzofuro[3,2-d]pyrimidin-4(3H)-one, 8-chloro-2-[(2S)-2-pyrrolidinyl]- [ACD/Index Name]
BMS-863233
(S)-8-chloro-2-(pyrrolidin-2-yl)benzofuro[3,2-d]pyrimidin-4(3H)-one
0SX
1169562-71-3 [RN]
8-Chloro-2-[(2s)-Pyrrolidin-2-Yl][1]benzofuro[3,2-D]pyrimidin-4(3h)-One
More...

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

8QK62S7492 [DBID]
UNII:8QK62S7492 [DBID]
UNII-8QK62S7492 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties. ChEBI CHEBI:189662

    • Bio Activity:

      Cdc7 MedChem Express HY-15260
      Cell Cycle/DNA Damage MedChem Express HY-15260
      Cell Cycle/DNA Damage; MedChem Express HY-15260
      XL413 is a potent and selective Cdc7 inhibitor with an IC50 of 3.7 nM, MedChem Express http://www.medchemexpress.com/3-o-_2-aminoethyl_-25-hydroxyvitamin-d3.html
      XL413 is a potent and selective Cdc7 inhibitor with an IC50 of 3.7 nM, >60-fold selectivity against CK2, >10-fold selectivity against PIM, and >300-fold selectivity against a panel of over 100 protein kinases.; IC50 value: 3.7 nM [1]; Target: Selective Cdc 7; XL413 demonstrated excellent plasma exposures in mice [100 mg/kg (PO): 141 lM (1 h), 81 lM (4 h)]. MedChem Express HY-15260
      XL413 is a potent and selective Cdc7 inhibitor with an IC50 of 3.7 nM, >60-fold selectivity against CK2, >10-fold selectivity against PIM, and >300-fold selectivity against a panel of over 100 protein kinases.;IC50 value: 3.7 nM [1];Target: Selective Cdc 7XL413 demonstrated excellent plasma exposures in mice [100 mg/kg (PO): 141 lM (1 h), 81 lM (4 h)]. Prolonged treatment with XL413 (3 days) inhibited the cell proliferation (IC50 = 2685 nM), decreased cell viability (IC50 = 2142 nM) and elicited the caspase 3/7 activity (EC50 = 2288 nM) in Colo-205 cells.XL413 demonstrated an excellent exposure profile infull rat PK assay (dosed at 3 mg/kg: Cmax (PO) = 8.61 lM, AUC(po) = 75 lM h, CL = 117 mL/h kg, Vss = 0.55 L/kg, T1/2 = 2.32 h, F = 95%). Tumor bearing mice were administered XL413 orally at doses of 10, 30, or 100 mg/kg once daily (qd) for 14 days,XL413 was well tolerated at all the doses and regimens examined, with no significant body weight loss observed [1]. MedChem Express HY-15260

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.796
Molar Refractivity: 72.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 25.79
Polar Surface Area: 67 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 171.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement