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Search term: 154046 (Found by CSID)
ChemSpider 2D Image | cilengitide | C27H40N8O7

cilengitide

  • Molecular FormulaC27H40N8O7
  • Average mass588.656 Da
  • Monoisotopic mass588.302002 Da
  • ChemSpider ID154046

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
188968-51-6 [RN]
2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentaoxo-8-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
4EDF46E4GI
cilengitida [Spanish] [INN]
cilengitide [INN] [USAN] [Wiki]
cilengitide [French] [INN]
cilengitidum [Latin] [INN]
Cyclo(L-arginylglycyl-L-α-asparagyl-D-phenylalanyl-N-methyl-L-valyl) [German] [ACD/IUPAC Name]
Cyclo(L-arginylglycyl-L-α-aspartyl-D-phenylalanyl-N-methyl-L-valyl) [ACD/Index Name] [ACD/IUPAC Name]
More...

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

7823 [DBID]
CCRIS 8681 [DBID]
D03497 [DBID]
EMD 121974 [DBID]
EMD-121974 [DBID]
EMD-85189 [DBID]
NSC-707544 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Integrin inhibitor TargetMol T2494

    • Bio Activity:

      ??v??3 receptor;??v??5 receptor TargetMol T2494
      Cell Cycle/Checkpoint TargetMol T2494
      Cilengitide (EMD 121974; NSC 707544) is a potent integrin inhibitor for ?v?3 and ?v?5 integrin with IC50 of 4.1 nM and 79 nM, respectively; ~10-fold selectivity against gpIIbIIIa. MedChem Express HY-16141
      Enzyme-Linked Receptors Tocris Bioscience 5870
      Integrin MedChem Express HY-16141
      Integrins Tocris Bioscience 5870
      Others MedChem Express HY-16141
      Potent and selective inhibitor of integrins ?v?3 and ?v?5 Tocris Bioscience 5870
      Potent and selective inhibitor of integrins ?v?3 and ?v?5 (IC50 values are 4.1 and 70 nM, respectively). Exhibits ~10-fold selectivity over gpIIb/IIIa. Increases endothelial monolayer permeability. Also exhibits antiangiogenic activity. Tocris Bioscience 5870
      Potent and selective inhibitor of integrins alphavbeta3 and alphavbeta5 Tocris Bioscience 5870
      Potent and selective inhibitor of integrins alphavbeta3 and alphavbeta5 (IC50 values are 4.1 and 70 nM, respectively). Exhibits ~10-fold selectivity over gpIIb/IIIa. Increases endothelial monolayer permeability. Also exhibits antiangiogenic activity. Tocris Bioscience 5870

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 150.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

Click to predict properties on the Chemicalize site


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