For research use only. Not for therapeutic Use.
TL13-68 is a biotin-tagged version of SM1-71, and it can be used to research the mechanism of SM1-71[1].
| Catalog Number | I045745 |
| Synonyms | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[4-[4-[[5-chloro-4-[2-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| Molecular Formula | C41H55ClN10O6S |
| Purity | ≥95% |
| InChI | InChI=1S/C41H55ClN10O6S/c1-2-36(53)46-32-7-3-4-8-33(32)47-39-31(42)27-44-40(50-39)45-29-11-13-30(14-12-29)52-18-16-51(17-19-52)20-22-57-24-26-58-25-23-56-21-15-43-37(54)10-6-5-9-35-38-34(28-59-35)48-41(55)49-38/h2-4,7-8,11-14,27,34-35,38H,1,5-6,9-10,15-26,28H2,(H,43,54)(H,46,53)(H2,48,49,55)(H2,44,45,47,50)/t34-,35-,38-/m0/s1 |
| InChIKey | YCWXKQLWMVZSTB-XFKJAIHHSA-N |
| SMILES | C=CC(=O)NC1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)N4CCN(CC4)CCOCCOCCOCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6 |
| Reference | [1]. Du G, et, al. Structure-Based Design of a Potent and Selective Covalent Inhibitor for SRC Kinase That Targets a P-Loop Cysteine. J Med Chem. 2020 Feb 27; 63(4): 1624-1641. |
