A PAD1 inhibitor
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CAY10729 (trifluoroacetate salt) (technical grade)

Item No. 26546

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
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
A 5 mg/ml solution in methyl acetate
Solubility(Learn about Variance in Solubility)
Methyl Acetate: Soluble
λmax
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
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    500 µg

    $134

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    1 mg

    $253

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    5 mg

    $469

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    Product Description

    CAY10729 is a tetrazole derivative of the protein arginine deiminase (PAD) inhibitor Cl-amidine (Item No. 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).1

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Subramanian, V., Knight, J.S., Parelkar, S., et al. Design, synthesis, and biological evaluation of tetrazole analogs of cl-amidine as protein arginine deiminase inhibitors. J. Med. Chem. 58(3), 1337-1344 (2015).