YAP-TEAD-IN-1

YAP-TEAD-IN-1 is a potent and competitive inhibitor of YAP–TEAD interaction (IC50=25 nM). YAP-TEAD-IN-1 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: 1659305-78-8

Molecular Weight: 2019.86

Formula: C93H144ClN23O21S2

Chemical Name: (4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(3S, 6S, 9S, 12S, 15S, 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

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

InChiKey: QRAZSFFSGBFSLJ-SBWHOZIBSA-N

InChi: InChI=1S/C93H144ClN23O21S2/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/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)/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: ≥12 months 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

How to use

In Vitro:

YAP-TEAD-IN-1 (peptide 17)(2 μM) is against endogenous YAP binding to GST-TEAD (1209-426) in a GST pull-down assay, the Kd of His-YAP1209-426 is determined to be 40 nM.

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.