ChemSpider 2D Image | BMS 754807 | C23H24FN9O

BMS 754807

  • Molecular FormulaC23H24FN9O
  • Average mass461.495 Da
  • Monoisotopic mass461.208771 Da
  • ChemSpider ID24637163

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2s)-1-[4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-n-(6-fluoro-3-pyridinyl)-2-methyl-2-pyrrolidinecarboxamide
(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide
1-{4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluor-3-pyridinyl)-2-methyl-L-prolinamid [German] [ACD/IUPAC Name]
1-{4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide [ACD/IUPAC Name]
1-{4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoro-3-pyridinyl)-2-méthyl-L-prolinamide [French] [ACD/IUPAC Name]
1001350-96-4 [RN]
2-Pyrrolidinecarboxamide, 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methyl-, (2S)- [ACD/Index Name]
BMS 754807
BMS-754807
MFCD18633202
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

W9E3353E8J [DBID]
UNII:W9E3353E8J [DBID]
UNII-W9E3353E8J [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A pyrrolotriazine that is pyrrolo[2,1-<ital>f</ital>][1,2,4]triazine which is substituted at position 2 by the pyrrolidine nitrogen of (2<stereo>S</stereo>)-<element>N</element>-(6-fluoropyridin-3-yl) -2-methylprolinamide, and at position 4 by a (5-cyclopropyl-1<element>H</element>-pyrazol-3-yl)amino group. It is a potent, reversible inhibitor of the insulin-like growth factor 1 receptor/insulin re ceptor family kinases. ChEBI CHEBI:88339
      A pyrrolotriazine that is pyrrolo[2,1-f][1,2,4]triazine which is substituted at position 2 by the pyrrolidine nitrogen of (2S)-N-(6-fluoropyridin-3-yl)-2-methylprolinamide, and at position 4 by a (5-c yclopropyl-1H-pyrazol-3-yl)amino group. It is a potent, reversible inhibitor of the insulin-like growth factor 1 receptor/insulin receptor family kinases. ChEBI CHEBI:88339

    • Bio Activity:

      BMS-754807 is a potent and reversible inhibitor of IGF-1R/InsR with IC50 of 1.8 nM/1.7 nM, less potent to Met, Aurora A/B, TrkA/B and Ron, and shows little activity to Flt3, Lck, MK2, PKA, PKC etc. MedChem Express
      BMS-754807 is a potent and reversible inhibitor of IGF-1R/InsR with IC50 of 1.8 nM/1.7 nM, less potent to Met, Aurora A/B, TrkA/B and Ron, and shows little activity to Flt3, Lck, MK2, PKA, PKC etc.; IC50 value: 1.8 nM/1.7 nM(IGF-1R/InsR) [1]; Target: Multikinase; in vitro: BMS-754807 effectively inhibits the growth of a broad range of human tumor cell lines of different histologic origins including mesenchymal (Ewing's, rhabdomyosarcoma, neuroblastoma, and liposarcoma), epithelial (breast, lung, pancreatic, colon, and gastric), and hematopoietic (multiple myeloma and leukemia), the IC50 values range from 5 nM to 365 nM for the most sensitive cell lines. MedChem Express HY-10200
      BMS-754807 is a potent and reversible inhibitor of IGF-1R/InsR with IC50 of 1.8 nM/1.7 nM, less potent to Met, Aurora A/B, TrkA/B and Ron, and shows little activity to Flt3, Lck, MK2, PKA, PKC etc.;IC50 value: 1.8 nM/1.7 nM(IGF-1R/InsR) [1];Target: Multikinase;In vitro: BMS-754807 effectively inhibits the growth of a broad range of human tumor cell lines of different histologic origins including mesenchymal (Ewing's, rhabdomyosarcoma, neuroblastoma, and liposarcoma), epithelial (breast, lung, pancreatic, colon, and gastric), and hematopoietic (multiple myeloma and leukemia), the IC50 values range from 5 nM to 365 nM for the most sensitive cell lines. BMS-754807 inhibits proliferation of IGF-1R-Sal cells and RH41 cells with IC50 of 7 nM and 5 nM. BMS-754807 inhibits phosphorylation of IGF-1R in IGF-1R-Sal cells, Rh41 and Geo with IC50 of 13 nM, 6 nM and 21 nM. BMS-754807 inhibits phosphorylation of Akt in IGF-1R-Sal cells, Rh41 and Geo with IC50 of 22 nM, 13 nM and 16 nM. BMS-754807 MedChem Express HY-10200
      IGF-1R MedChem Express HY-10200
      IGF-1R Insulin Receptor MedChem Express HY-10200
      Protein Tyrosine Kinase/RTK MedChem Express HY-10200
      Protein Tyrosine Kinase/RTK; MedChem Express HY-10200

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.795
Molar Refractivity: 123.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.13
ACD/KOC (pH 5.5): 175.64
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.55
ACD/KOC (pH 7.4): 200.30
Polar Surface Area: 116 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 290.6±7.0 cm3

Click to predict properties on the Chemicalize site


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