ChemSpider 2D Image | BMS 833923 | C30H27N5O

BMS 833923

  • Molecular FormulaC30H27N5O
  • Average mass473.568 Da
  • Monoisotopic mass473.221558 Da
  • ChemSpider ID29785288

More details:

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

1059734-66-5 [RN]
Benzamide, N-[2-methyl-5-[(methylamino)methyl]phenyl]-4-[(4-phenyl-2-quinazolinyl)amino]- [ACD/Index Name]
BMS 833923
BMS-833923
Bms-833923 Free Base Anhydrous
N-{2-Methyl-5-[(methylamino)methyl]phenyl}-4-[(4-phenyl-2-chinazolinyl)amino]benzamid [German] [ACD/IUPAC Name]
N-{2-Methyl-5-[(methylamino)methyl]phenyl}-4-[(4-phenyl-2-quinazolinyl)amino]benzamide [ACD/IUPAC Name]
N-{2-Méthyl-5-[(méthylamino)méthyl]phényl}-4-[(4-phényl-2-quinazolinyl)amino]benzamide [French] [ACD/IUPAC Name]
[1059734-66-5] [RN]
1059734-66-5?
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

41J7ZJ239R [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      5 Axon Medchem 2356
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2356
      no pictogram Axon Medchem 2356
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2356
      Warning Axon Medchem 2356

    • Target Organs:

      Hedgehog/Smoothened antagonist TargetMol T2299

    • Bio Activity:

      BMS-833923 (XL-139) is an orally bioavailable small-molecule inhibitor of Smoothened with potential antineoplastic activity; inhibits BODIPY cyclopamine binding to SMO in a dose-dependent manner wit h an IC50 of 21 nM. MedChem Express
      BMS-833923 (XL-139) is an orally bioavailable small-molecule inhibitor of Smoothened with potential antineoplastic activity; inhibits BODIPY cyclopamine binding to SMO in a dose-dependent manner with an IC50 of 21 nM.; IC50 Value: 6-35 nM [1]; Target: Smoothened; SMO antagonist BMS-833923 inhibits the sonic hedgehog (SHH) pathway protein SMO, which may result in a suppression of the SHH signaling pathway.; in vitro: In vitro, BMS-833923 inhibits the expression of downstream effectors in the HH pathway (GLI1 and PTCH1) in cell lines that express wild-type SMO and those which express activated mutant forms of SMO (IC50values of 6-35 nM). MedChem Express HY-13809
      BMS-833923 (XL-139) is an orally bioavailable small-molecule inhibitor of Smoothened with potential antineoplastic activity; inhibits BODIPY cyclopamine binding to SMO in a dose-dependent manner with an IC50 of 21 nM.;IC50 Value: 6-35 nM [1];Target: SmoothenedSMO antagonist BMS-833923 inhibits the sonic hedgehog (SHH) pathway protein SMO, which may result in a suppression of the SHH signaling pathway.;In vitro: In vitro, BMS-833923 inhibits the expression of downstream effectors in the HH pathway (GLI1 and PTCH1) in cell lines that express wild-type SMO and those which express activated mutant forms of SMO (IC50values of 6-35 nM). In FACS-based binding assays, BMS-833923 inhibits BODIPY cyclopamine binding to SMO in a dose-dependent manner with an IC50 of 21 nM [1]. ;In vivo: Pharmacodynamic studies show that BMS-833923 robustly inhibits HH pathway activity with along duration of action after a single oral dose in medulloblastoma and pancreatic carcinoma xenograft models. The MedChem Express HY-13809
      GPCR/G Protein TargetMol T2299
      Smo MedChem Express HY-13809
      Smoothened TargetMol T2299
      Wnt/Hedgehog/Notch MedChem Express HY-13809
      Wnt/Hedgehog/Notch; MedChem Express HY-13809

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 5.00
ACD/KOC (pH 5.5): 14.30
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 33.21
ACD/KOC (pH 7.4): 94.99
Polar Surface Area: 79 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 378.1±3.0 cm3

Click to predict properties on the Chemicalize site


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