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Cilengitide trifluoroacetate

Cilengitide is a cyclic Arg-Gly-Asp peptide with potential antineoplastic activity. Cilengitide binds to and inhibits the activities of the alpha(v)beta(3) and alpha(v)beta(5) integrins, thereby inhibiting endothelial cell-cell interactions, endothelial cell-matrix interactions, and angiogenesis.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
Cilengitide trifluoroacetate(CAS 199807-35-7)

CAT No: R1953

CAS No:199807-35-7

Synonyms/Alias:Cilengitide trifluoroacetate;199807-35-7;Cilengitide TFA;Cilengitide TFA salt;Cilengitide (TFA);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;2,2,2-trifluoroacetic acid;NSC 707544;Cilengitidetrifluoroacetate;Cilengitide (TFA salt)?;Cilengitide?trifluoroacetate;C29H41F3N8O9;EMD 121974 (TFA);MFCD22665738;s7077;AKOS032945134;CCG-270388;BS-15883;DA-62313;HY-16143;CS-0006160;C73784;EMD 121974; NSC 707544;2-((2S,5R,8S,11S)-5-Benzyl-11-(3-guanidinopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid trifluoroacetate;

Chemical 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;2,2,2-trifluoroacetic acid

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M.F/Formula
C29H41F3N8O9
M.W/Mr.
702.7
Sequence
Three Letter Code:cyclo[Arg-Gly-Asp-D-Phe-N(Me)Val].TFA
Appearance
Solid powder
InChI
InChI=1S/C27H40N8O7.C2HF3O2/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16;3-2(4,5)1(6)7/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);(H,6,7)/t17-,18-,19+,22-;/m0./s1
InChI Key
WHJCSACXAPYNTG-LOPTWHKWSA-N
Canonical SMILES
CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N.C(=O)(C(F)(F)F)O
Isomeric SMILES
CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N.C(=O)(C(F)(F)F)O

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