For research use only. Not for therapeutic Use.
YAP-TEAD-IN-1 TFA(Cat No.:I015631)is a small-molecule inhibitor supplied as a trifluoroacetate (TFA) salt that disrupts the interaction between Yes-associated protein (YAP) and TEA domain transcription factors (TEADs). This complex is a central effector of the Hippo signaling pathway, regulating cell proliferation, survival, and organ size. By blocking YAP–TEAD binding, the compound suppresses oncogenic transcriptional programs linked to tumor growth and metastasis. YAP-TEAD-IN-1 TFA is a valuable research tool in oncology and regenerative medicine, enabling studies on Hippo pathway regulation and therapeutic strategies targeting aberrant transcriptional signaling.
CAS Number | 1659305-79-9 |
Molecular Formula | C95H145F3ClN23O23S2 |
Purity | ≥95% |
IUPAC Name | (4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(3S,6S,9S,12S,15S,21R,24S,27S,30S,33S)-15-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(3-chlorophenyl)propanoyl]amino]-6-(4-aminobutyl)-24-benzyl-3-butyl-9-(3-carbamimidamidopropyl)-27-(hydroxymethyl)-30-methyl-12-(2-methylpropyl)-2,5,8,11,14,23,26,29,32-nonaoxo-18,19-dithia-1,4,7,10,13,22,25,28,31-nonazabicyclo[31.3.0]hexatriacontane-21-carbonyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoic acid;2,2,2-trifluoroacetic acid |
InChI | InChI=1S/C93H144ClN23O21S2.C2HF3O2/c1-8-9-27-63-89(135)114-41-19-31-70(114)86(132)101-54(6)77(123)112-68(50-118)84(130)110-66(48-56-23-11-10-12-24-56)83(129)113-69(85(131)108-64(29-14-16-39-96)90(136)117-44-22-34-73(117)91(137)115-42-20-32-71(115)87(133)103-59(76(97)122)35-36-74(120)121)51-140-139-45-37-62(80(126)109-65(46-52(2)3)81(127)105-61(30-18-40-100-93(98)99)78(124)104-60(79(125)107-63)28-13-15-38-95)106-82(128)67(49-57-25-17-26-58(94)47-57)111-88(134)72-33-21-43-116(72)92(138)75(53(4)5)102-55(7)119;3-2(4,5)1(6)7/h10-12,17,23-26,47,52-54,59-73,75,118H,8-9,13-16,18-22,27-46,48-51,95-96H2,1-7H3,(H2,97,122)(H,101,132)(H,102,119)(H,103,133)(H,104,124)(H,105,127)(H,106,128)(H,107,125)(H,108,131)(H,109,126)(H,110,130)(H,111,134)(H,112,123)(H,113,129)(H,120,121)(H4,98,99,100);(H,6,7)/t54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-;/m0./s1 |
InChIKey | YOORGGLATWBZLS-GRUMCCRJSA-N |
SMILES | CCCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CCCNC(=N)N)CC(C)C)NC(=O)[C@H](CC3=CC(=CC=C3)Cl)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)C)C(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)O)C(=O)N)CC7=CC=CC=C7)CO)C.C(=O)(C(F)(F)F)O |
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