CAY10729 TFA | Tetrazole Derivative

MedKoo Cat#: 574027 | Name: CAY10729 TFA

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

CAY10729 TFA is a tetrazole derivative of the protein arginine deiminase (PAD) inhibitor Cl-amidine that selectively inhibits PAD1 over PAD2, PAD3, and PAD4.

Chemical Structure

CAY10729 TFA

CAS#NONE

Theoretical Analysis

MedKoo Cat#: 574027

Name: CAY10729 TFA

CAS#: NONE

Chemical Formula: C21H27ClF3N7O5

Exact Mass: 549.1714

Molecular Weight: 549.94

Elemental Analysis: C, 45.87; H, 4.95; Cl, 6.45; F, 10.36; N, 17.83; O, 14.55

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 500.00	2 Weeks
5mg	USD 950.00	2 Weeks

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Related CAS #

No Data

Synonym

CAY10729 TFA; CAY 10729 TFA; CAY-10729 TFA; CAY10729 trifluoroacetate salt

IUPAC/Chemical 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

InChi Key

JBYPTUMRAURTAB-UQKRIMTDSA-N

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

SMILES Code

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

Appearance

A solution in methyl acetate

Purity

>70% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 549.94 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

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. Journal of Medicinal Chemistry 58(3), 1337-1344 (2015).