ChemSpider 2D Image | B-Raf IN 1 | C29H24F3N5O

B-Raf IN 1

  • Molecular FormulaC29H24F3N5O
  • Average mass515.529 Da
  • Monoisotopic mass515.193298 Da
  • ChemSpider ID24664979

More details:

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

950736-05-7 [RN]
Benzamide, N-[3-[3-[4-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)- [ACD/Index Name]
B-Raf IN 1
N-[3-(3-{4-[(Dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[3-(3-{4-[(Dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[3-(3-{4-[(Diméthylamino)méthyl]phényl}pyrazolo[1,5-a]pyrimidin-7-yl)phényl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
[950736-05-7] [RN]
B-Raf inhibitor 1
B-Raf-IN-1
MDK36057
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Raf inhibitor TargetMol T1845

    • Bio Activity:

      B-Raf IN 1 is a highlt potent and selective B-Raf inhibitor with IC50 of 24 nM; equipotent against c-Raf (IC50= 25 nM).; IC50 value: 24 nM (B-Raf); 25 nM (C-Raf) [1]; Target: B-Raf/C-Raf inhibitor; Compound 10n (B-Raf IN 1) was equipotent against c-Raf (IC50: 0.025 lM) Moderate selectivity was observed for compound 10n versus p38a (IC50: 0.216 lM) and CAMKII (IC50: 0.822 lM), while high selectivity was observed versus CDK2, CDK4, PKCa, IKKb, JNK1, MK2, PKA, Src, MKK6, PLK1, p70S6K, PI3 Ka, and PDK1 (IC50s: >2 lM). MedChem Express HY-18227
      B-Raf IN 1 is a highlt potent and selective B-Raf inhibitor with IC50 of 24 nM; equipotent against c-Raf (IC50= 25 nM).;IC50 value: 24 nM (B-Raf); 25 nM (C-Raf) [1];Target: B-Raf/C-Raf inhibitorCompound 10n (B-Raf IN 1) was equipotent against c-Raf (IC50: 0.025 lM) Moderate selectivity was observed for compound 10n versus p38a (IC50: 0.216 lM) and CAMKII (IC50: 0.822 lM), while high selectivity was observed versus CDK2, CDK4, PKCa, IKKb, JNK1, MK2, PKA, Src, MKK6, PLK1, p70S6K, PI3 Ka, and PDK1 (IC50s: >2 lM). MedChem Express HY-18227
      B-Raf/C-Raf TargetMol T1845
      MAPK MedChem Express HY-18227
      MAPK Signaling TargetMol T1845
      MAPK; MedChem Express HY-18227
      Raf MedChem Express HY-18227

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 17.81
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 203.62
ACD/KOC (pH 7.4): 777.50
Polar Surface Area: 63 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 401.5±7.0 cm3

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