YAP-TEAD-IN-1 TFA

YAP-TEAD-IN-1 TFA is a potent and competitive peptide inhibitor of YAP-TEAD interaction (IC50=25 nM). YAP-TEAD-IN-1 TFA is a 17mer peptide and shows a higher the binding affinity to TEAD1 (Kd=15 nM) than YAP (50-171) (Kd= 40 nM).

Product information

CAS Number: 1659305-79-9

Molecular Weight: 2133.89

Formula: C95H145ClF3N23O23S2

Chemical Name: (4S)-4-((2S)-1-((2S)-1-((2S)-2-((3S, 6S, 9S, 18S, 21S, 24S, 27S, 30S, 35aS)-18-((S)-2-((S)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidine-2-carboxamido)-3-(3-chlorophenyl)propanamido)-27-(4-aminobutyl)-9-benzyl-30-butyl-24-(3-guanidinopropyl)-6-(hydroxymethyl)-21-isobutyl-3-methyl-1, 4, 7, 10, 19, 22, 25, 28, 31-nonaoxodotriacontahydro-1H-pyrrolo[2, 1-p][1, 2, 5, 8, 11, 14, 17, 20, 23, 26, 29]dithianonaazacyclotritriacontine-12-carboxamido)-6-aminohexanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)-5-amino-5-oxopentanoic acid compound with 2, 2, 2-trifluoroacetic acid (1:1)

Smiles: CC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)N[C@H]1CCSSCC(NC(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O.OC(=O)C(F)(F)F

InChiKey: YOORGGLATWBZLS-WSOWYRKTSA-N

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

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: Soluble in DMSO

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥360 days if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Zhang Z, et al. Structure-Based Design and Synthesis of Potent Cyclic Peptides Inhibiting the YAP-TEAD Protein-Protein Interaction.ACS Med Chem Lett. 2014 Jul 14;5(9):993-8.

Products are for research use only. Not for human use.