Cilengitide trifluoroacetate
Cilengitide (EMD 121974, NSC 707544) is a potent integrin inhibitor for αvβ3 receptor and αvβ5 receptor with IC50 of 4.1 nM and 79 nM in cell-free assays, respectively; ~10-fold selectivity against gpIIbIIIa. Phase 2.
Trivial name | EMD 121974, NSC 707544 |
Catalog Number | S7077 |
Molecular Formula | C29H41F3N8O9 |
CAS# | 199807-35-7 |
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 |
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 |
Size | 5mg |
Supplier Page | http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html |
Additional Information | https://file.selleck.cn/downloads/struct/cilengitide-emd-121974-chemical-structure-s7077.gif |