ChemSpider 2D Image | BIBF 1202 | C30H31N5O4

BIBF 1202

  • Molecular FormulaC30H31N5O4
  • Average mass525.598 Da
  • Monoisotopic mass525.237610 Da
  • ChemSpider ID9780901

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-{[(4-{Methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylen}-2-oxo-6-indolincarbonsäure [German] [ACD/IUPAC Name]
(3Z)-3-{[(4-{Methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylic acid [ACD/IUPAC Name]
1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, (3Z)- [ACD/Index Name]
894783-71-2 [RN]
Acide (3Z)-3-{[(4-{méthyl[2-(4-méthyl-1-pipérazinyl)acétyl]amino}phényl)amino](phényl)méthylène}-2-oxo-6-indolinecarboxylique [French] [ACD/IUPAC Name]
BIBF 1202
BIBF-1202
(3Z)?-2,?3-?dihydro-?3-?[[[4-?[methyl[2-?(4-?methyl-?1-?piperazinyl)?acetyl]?amino]?phenyl]?amino]?phenylmethylene]?-?2-?oxo-1H-?Indole-?6-?carboxylic acid?
(3Z)-2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1H-indole-6-carboxylic acid
(3Z)-3-[({4-[N-METHYL-2-(4-METHYLPIPERAZIN-1-YL)ACETAMIDO]PHENYL}AMINO)(PHENYL)METHYLIDENE]-2-OXO-1H-INDOLE-6-CARBOXYLIC ACID
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      BIBF 1202 is the carboxylate metabolite of BIBF 1120, which is an oral triple angiokinase inhibitor targeting VEGFR, PDGFR, FGFR.; IC50 value:; Target: ; BIBF 1120 and metabolites were mainly excreted via faeces. MedChem Express HY-15992
      BIBF 1202 is the carboxylate metabolite of BIBF 1120, which is an oral triple angiokinase inhibitor targeting VEGFR, PDGFR, FGFR.;IC50 value:;Target: BIBF 1120 and metabolites were mainly excreted via faeces. The major metabolic pathway for BIBF 1120 was methyl ester cleavage to BIBF 1202. Subsequently, the free carboxyl group of BIBF 1202 was glucuronidated to 1-O-acylglucuronide. MedChem Express HY-15992
      Others MedChem Express HY-15992

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 413.1±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 105 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement