MedKoo Cat#: 124069 | Name: ATX inhibitor 1
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Description:

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

ATX inhibitor 1 is a potent ATX (IC50=1.23 nM, FS-3 and 2.18 nM, bis-pNPP) inhibitor.

Chemical Structure

ATX inhibitor 1
ATX inhibitor 1
CAS#2225892-70-4

Theoretical Analysis

MedKoo Cat#: 124069

Name: ATX inhibitor 1

CAS#: 2225892-70-4

Chemical Formula: C21H23Cl2N2O6P

Exact Mass: 500.0671

Molecular Weight: 501.30

Elemental Analysis: C, 50.32; H, 4.62; Cl, 14.14; N, 5.59; O, 19.15; P, 6.18

Price and Availability

Size Price Availability Quantity
100mg USD 1,350.00 2 Weeks
200mg USD 2,150.00 2 Weeks
500mg USD 3,250.00 2 Weeks
1g USD 4,650.00 2 Weeks
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Related CAS #
No Data
Synonym
ATX inhibitor 1; CHEMBL4217352
IUPAC/Chemical Name
[4-[[1-[(3,5-dichlorophenyl)methoxycarbonyl]piperidine-4-carbonyl]amino]phenyl]methylphosphonic acid
InChi Key
CYOVYGWNDHLPBF-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
SMILES Code
OP(CC1=CC=C(NC(C2CCN(C(OCC3=CC(Cl)=CC(Cl)=C3)=O)CC2)=O)C=C1)(O)=O
Appearance
To be determined
Purity
>98% (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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 501.30 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
Balupuri A, Lee MH, Chae S, Jung E, Yoon W, Kim Y, Son SJ, Ryu J, Kang DH, Yang YJ, You JN, Kwon H, Jeong JW, Koo TS, Lee DY, Kang NS. Discovery and optimization of ATX inhibitors via modeling, synthesis and biological evaluation. Eur J Med Chem. 2018 Mar 25;148:397-409. doi: 10.1016/j.ejmech.2018.02.049. Epub 2018 Feb 17. PMID: 29477073.