CAY10729 (trifluoroacetate salt) (technical grade)

CAY10729 is a tetrazole derivative of the protein arginine deiminase (PAD) inhibitor Cl-amidine (Cay-10599) that selectively inhibits PAD1 over PAD2, PAD3, and PAD4 (kinact/KI = 162,200, 60,000, 17,500, and 25,400 M-1min-1 for PAD1-4, respectively).Formal Name: 2-[[[(1S)-4-[(2-chloro-1-iminoethyl)amino]-1-[2-(1,1-dimethylethyl)-2H-tetrazol-5-yl]butyl]amino]carbonyl]-benzoic acid, trifluoroacetate salt. Molecular Formula: C19H26ClN7O3 . XCF3COOH. Formula Weight: 435.9. Purity: >70%. Formulation: (Request formulation change), A solution in methyl acetate. Solubility: Methyl Acetate: Soluble. lambdamax: 273 nm. SMILES: O=C(N[C@@H](CCCNC(CCl)=N)C1=NN(C(C)(C)C)N=N1)C2=CC=CC=C2C(O)=O.FC(F)(C(O)=O)F. InChi Code: InChI=1S/C19H26ClN7O3.C2HF3O2/c1-19(2,3)27-25-16(24-26-27)14(9-6-10-22-15(21)11-20)23-17(28)12-7-4-5-8-13(12)18(29)30,3-2(4,5)1(6)7/h4-5,7-8,14H,6,9-11H2,1-3H3,(H2,21,22)(H,23,28)(H,29,30),(H,6,7)/t14-,/m0./s1. InChi Key: JBYPTUMRAURTAB-UQKRIMTDSA-N.