For research use only. Not for therapeutic Use.
Shepherdin (79-87) TFA is amino acids 79 to 87 fragment of Shepherdin. Shepherdin is a peptidomimetic antagonist of the complex between Hsp90 and Survivin. Anticancer activity[1].
| Catalog Number | I041213 |
| Synonyms | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid |
| Molecular Formula | C43H65F3N12O14S |
| Purity | ≥95% |
| InChI | InChI=1S/C41H64N12O12S.C2HF3O2/c1-22(2)13-29(41(64)65)51-37(60)27(14-24-9-5-4-6-10-24)49-34(57)23(3)47-40(63)32(20-66)48-33(56)17-45-36(59)30(18-54)52-39(62)31(19-55)53-38(61)28(15-25-16-44-21-46-25)50-35(58)26(43)11-7-8-12-42;3-2(4,5)1(6)7/h4-6,9-10,16,21-23,26-32,54-55,66H,7-8,11-15,17-20,42-43H2,1-3H3,(H,44,46)(H,45,59)(H,47,63)(H,48,56)(H,49,57)(H,50,58)(H,51,60)(H,52,62)(H,53,61)(H,64,65);(H,6,7)/t23-,26-,27-,28-,29-,30-,31-,32-;/m0./s1 |
| InChIKey | ISRJQWVUEJCODH-BNRNJGPNSA-N |
| SMILES | CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CS)NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCCCN)N.C(=O)(C(F)(F)F)O |
| Reference | [1]. Plescia J, et al. Rational design of shepherdin, a novel anticancer agent. Cancer Cell. 2005 May;7(5):457-68. |
