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ChemSpider 2D Image | CB-5083 | C24H23N5O2

CB-5083

  • Molecular FormulaC24H23N5O2
  • Average mass413.472 Da
  • Monoisotopic mass413.185181 Da
  • ChemSpider ID35519806

More details:






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

1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indol-4-carboxamid [German] [ACD/IUPAC Name]
1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide [ACD/IUPAC Name]
1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-méthyl-1H-indole-4-carboxamide [French] [ACD/IUPAC Name]
1542705-92-9 [RN]
1H-Indole-4-carboxamide, 1-[7,8-dihydro-4-[(phenylmethyl)amino]-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl- [ACD/Index Name]
591IV6UL6J
CB-5083
1-(4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methyl-1H-indole-4-carboxamide
1-?[7,?8-?dihydro-?4-?[(phenylmethyl)?amino]?-?5H-?pyrano[4,?3-?d]?pyrimidin-?2-?yl]?-?2-?methyl-1H-?Indole-?4-?carboxamide
1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      CB-5083 is a potent, ATP-competitive, D2-selective, and orally bioavailable p97 inhibitor with IC50 of 11nM.; IC50 value: 11 nM; Target: p97; in vitro: CB-5083 leads to significant accumulation of markers associated with inhibition of UPS and ERAD functions, which induces irresolvable proteotoxic stress and cell death. MedChem Express HY-12861
      CB-5083 is a potent, ATP-competitive, D2-selective, and orally bioavailable p97 inhibitor with IC50 of 11nM.;IC50 value: 11 nM;Target: p97;In vitro: CB-5083 leads to significant accumulation of markers associated with inhibition of UPS and ERAD functions, which induces irresolvable proteotoxic stress and cell death. ;In vivo: In tumor bearing mice, oral administration of CB-5083 causes rapid accumulation of markers of the unfolded protein response (UPR) and subsequently induces apoptosis leading to sustained antitumor activity in in vivo xenograft models of both solid and hematological tumors. CB-5083 has good metabolic stability with a 102 min T1/2 in a mouse liver microsomal stability study and a 172 min T1/2 in a hepatocyte stability study. CB-5083 also has excellent permeability as assessed in a Caco-2 assay. PK studies revealed that CB-5083 has moderate absolute oral bioavailability (41%) in mouse, making it suitable for preclinical development. MedChem Express HY-12861
      Cell Cycle/DNA Damage MedChem Express HY-12861
      Cell Cycle/DNA Damage; MedChem Express HY-12861
      p97 MedChem Express HY-12861

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 760.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 413.8±35.7 °C
Index of Refraction: 1.710
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 194.08
ACD/KOC (pH 5.5): 1340.05
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 294.34
ACD/KOC (pH 7.4): 2032.30
Polar Surface Area: 95 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 300.7±7.0 cm3

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