ChemSpider 2D Image | AC480 | C27H27FN8O3

AC480

  • Molecular FormulaC27H27FN8O3
  • Average mass530.554 Da
  • Monoisotopic mass530.218994 Da
  • ChemSpider ID8612442
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate [ACD/IUPAC Name]
(3S)-3-Morpholinylmethyl-(4-{[1-(3-fluorbenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamat [German] [ACD/IUPAC Name]
(3S)-3-Morpholinylmethyl-[4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-Carbamic acid
(4-{[1-(3-Fluorobenzyl)-1H-indazol-5-yl]amino}-5-méthylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate de (3S)-3-morpholinylméthyle [French] [ACD/IUPAC Name]
714971-09-2 [RN]
AC480
BMS-599626
Carbamic acid, N-[4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-, (3S)-3-morpholinylmethyl ester [ACD/Index Name]
MFCD10565678 [MDL number]
((S)-morpholin-3-yl)methyl 4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2252724U5N [DBID]
UNII:2252724U5N [DBID]
UNII-2252724U5N [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 092556
    • Bio Activity:

      AC480 (BMS-599626) is a selective and efficacious inhibitor of HER1 and HER2 with IC50 of 20 nM and 30 nM, ~8-fold less potent to HER4, MedChem Express http://www.medchemexpress.com/ag1024.html
      AC480 (BMS-599626) is a selective and efficacious inhibitor of HER1 and HER2 with IC50 of 20 nM and 30 nM, ~8-fold less potent to HER4, >100-fold to VEGFR2, c-Kit, Lck, MET etc.; IC50 value: 20 nM (HER1); 30 nM (HER2) [1]; Target: HER1/HER2; in vitro: BMS-599626 inhibited HER1 and HER2 with IC50 of 20 and 30 nmol/L, respectively, and was highly selective when tested against a broad panel of diverse protein kinases. MedChem Express HY-10251
      AC480 (BMS-599626) is a selective and efficacious inhibitor of HER1 and HER2 with IC50 of 20 nM and 30 nM, ~8-fold less potent to HER4, >100-fold to VEGFR2, c-Kit, Lck, MET etc.;IC50 value: 20 nM (HER1); 30 nM (HER2) [1];Target: HER1/HER2;In vitro: BMS-599626 inhibited HER1 and HER2 with IC50 of 20 and 30 nmol/L, respectively, and was highly selective when tested against a broad panel of diverse protein kinases. Biochemical studies suggested that BMS-599626 inhibited HER1 and HER2 through distinct mechanisms. BMS-599626 abrogated HER1 and HER2 signaling and inhibited the proliferation of tumor cell lines that are dependent on these receptors, with IC50 in the range of 0.24 to 1 micromol/L. BMS-599626 was highly selective for tumor cells that depend on HER1/HER2 and had no effect on the proliferation of cell lines that do not express these receptors. In tumor cells that are capable of forming HER1/HER2 heterodimers, BMS-599626 inhibited heterodimerization and downstream signaling [1 MedChem Express HY-10251
      EGFR MedChem Express HY-10251
      JAK/STAT Signaling MedChem Express HY-10251
      JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; MedChem Express HY-10251

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.77
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 8.06
ACD/KOC (pH 7.4): 89.95
Polar Surface Area: 120 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 357.6±7.0 cm3

Click to predict properties on the Chemicalize site






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