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ChemicalBook--->CAS DataBase List--->188968-51-6

188968-51-6

188968-51-6 Structure

188968-51-6 Structure
IdentificationBack Directory
[Name]

2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
[CAS]

188968-51-6
[Synonyms]

D03497
CS-1500
CS-2674
EMD 12197
EMD-85189
NSC 707544
Cilengitide
C(RGDf-Me-V)
c(RGDf(NMe)V)
Cilengitide, >=98%
cilengitide USP/EP/BP
Cilengitide (EMD 121974)
EMD 121974;EMD-121974;EMD121974
Cyclo(Arg-Gly-Asp-D-Phe-N-Me-Val)
Cilengitide(EMD121974,NSC-707544)
EMD 12197;EMD-85189;EMD-121974;NSC-707544;D03497
Cyclo(L-arginylglycyl-L-aspartyl-D-phenylalanyl-N-methyl-L-valyl)
2-((2S,5R,8S,11S)-5-Benzyl-11-(3-guanidinopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]aceticaci
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
[Molecular Formula]

C27H40N8O7
[MDL Number]

MFCD04307743
[MOL File]

188968-51-6.mol
[Molecular Weight]

588.662
Chemical PropertiesBack Directory
[density ]

1.41±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

≥29.43 mg/mL in DMSO; ≥22.56 mg/mL in H2O
[form ]

powder
[pka]

4.01±0.10(Predicted)
[color ]

white to beige
[Water Solubility ]

Soluble to 10 mg/ml in water
[InChIKey]

AMLYAMJWYAIXIA-MAVOJUFWNA-N
[SMILES]

N1(C)[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC2C=CC=CC=2)C1=O |&1:2,9,24,32,r|
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Uses]

Angiogenesis inhibitor.
[Definition]

ChEBI: Cilengitide is an oligopeptide.
[Biochem/physiol Actions]

It exhibits antitumor activity in glioblastoma multiforme tumors. Integrins are heterodimers of α and β chain. They are transmembrane receptors which are responsible for cell-to-cell and cell-extracellular matrix interactions. They control tumor angiogenesis, invasion and migration.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

cilengitide(188968-51-6)1HNMR
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