For research use only. Not for therapeutic Use.
Caffeic acid-pYEEIE TFA, a non-phosphopeptide inhibitor, exhibits potent binding affinity for the GST-Lck-SH2 domain[1].
Catalog Number | I045722 |
Synonyms | (2S)-2-[[(2S,3S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid |
Molecular Formula | C41H51F3N5O21P |
Purity | ≥95% |
InChI | InChI=1S/C39H50N5O19P.C2HF3O2/c1-3-20(2)34(38(57)43-26(39(58)59)12-17-33(52)53)44-36(55)25(11-16-32(50)51)41-35(54)24(10-15-31(48)49)42-37(56)27(18-21-4-8-23(9-5-21)63-64(60,61)62)40-30(47)14-7-22-6-13-28(45)29(46)19-22;3-2(4,5)1(6)7/h4-9,13-14,19-20,24-27,34,45-46H,3,10-12,15-18H2,1-2H3,(H,40,47)(H,41,54)(H,42,56)(H,43,57)(H,44,55)(H,48,49)(H,50,51)(H,52,53)(H,58,59)(H2,60,61,62);(H,6,7)/b14-7+;/t20-,24-,25-,26-,27-,34-;/m0./s1 |
InChIKey | KIXUFVTZPVMUKC-LDEIPEOGSA-N |
SMILES | CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O.C(=O)(C(F)(F)F)O |
Reference | [1]. See-Hyoung Park, et al. Design and characterization of non-phosphopeptide inhibitors for Src family SH2 domains. Bioorg Med Chem Lett. 2002 Oct 7;12(19):2711-4. |