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MedKoo Cat#: 462129 | Name: CAY10727
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Description:

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

CAY10727 is an inhibitor of protein arginine deiminase 3. It is selective for PAD3 over PAD1, -2, and -4.

Chemical Structure

CAY10727
CAY10727
CAS#1671088-84-8

Theoretical Analysis

MedKoo Cat#: 462129

Name: CAY10727

CAS#: 1671088-84-8

Chemical Formula: C21H22Cl2N4O2

Exact Mass: 432.1120

Molecular Weight: 432.11

Elemental Analysis: C, 58.21; H, 5.12; Cl, 16.36; N, 12.93; O, 7.38

Price and Availability

Size Price Availability Quantity
1mg USD 1,250.00 2 Weeks
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Related CAS #
No Data
Synonym
CAY10727; CAY 10727; CAY-10727
IUPAC/Chemical Name
2-chloro-N-[3-[1-[(2'-chloro[1,1'-biphenyl]-3-yl)methyl]-2,5-dioxo-4-imidazolidinyl]propyl]-ethanimidamide
InChi Key
WBAMTPWAOJULCC-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H22Cl2N4O2/c22-12-19(24)25-10-4-9-18-20(28)27(21(29)26-18)13-14-5-3-6-15(11-14)16-7-1-2-8-17(16)23/h1-3,5-8,11,18H,4,9-10,12-13H2,(H2,24,25)(H,26,29)
SMILES Code
N=C(NCCCC(C(N1CC2=CC(C3=CC=CC=C3Cl)=CC=C2)=O)NC1=O)CCl
Appearance
A solution in ethanol
Purity
>90% (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

Preparing Stock Solutions

The following data is based on the product molecular weight 432.11 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.

Recalculate based on batch purity %
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. Jamali, H., Khan, H.A., Stringer, J.R., et al. Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method. J. Am. Chem. Soc. 137(10), 3616-3621 (2015).

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