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189512

Autotaxin Inhibitor III, PF-8380

Name: Autotaxin Inhibitor III, PF-8380
Brand: MM

The Autotaxin Inhibitor III, PF-8380, also referenced under CAS 1144035-53-9, controls the biological activity of Autotaxin. This small molecule/inhibitor is primarily used for Membrane applications.

Synonym(s):

Autotaxin Inhibitor III, PF-8380, 6-(3-(Piperazin-1-yl)propanoyl)-benzo[d]oxazol-2(3H)-one, Atx Inhibitor III, PF-8380

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About This Item

Empirical Formula (Hill Notation):

C₂₂H₂₁Cl₂N₃O₅

CAS Number:

1144035-53-9

Molecular Weight:

478.33

UNSPSC Code:

51111800

NACRES:

NA.28

MDL number:

MFCD20527274

Assay:

≥95% (HPLC)

Form:

powder

Quality level:

100

Storage condition:

OK to freeze, protect from light

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Properties

Quality Level

100

assay

≥95% (HPLC)

form

powder

manufacturer/tradename

Calbiochem^®

storage condition

OK to freeze, protect from light

color

tan

solubility

DMSO: 100 mg/mL

shipped in

dry ice

storage temp.

−20°C

SMILES string

O=C(OCC1=CC(Cl)=CC(Cl)=C1)N2CCN(CCC(C3=CC(OC(N4)=O)=C4C=C3)=O)CC2

InChI

1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)

InChI key

JMSUDQYHPSNBSN-UHFFFAOYSA-N

Description

General description

An orally bioavailable piperazinylbenzoxazolone compound that acts as a substrate competitive and tight-binding inhibitor of autotaxin activity {IC₅₀ = 2.8 and 1.7 nM for recombinant human enzyme-β isoform employing FS-3 and LPC (lysophosphatidylcholine) as substrates, respectively; 1.16 and 1.15 nM for rat/murine enzyme-FS-3 and fetal fibroblast cell-LPC; 101 nM for human whole blood}. Displays desirable pharmacokinetics properties and efficiently blocks inflammation-induced LPA (lysophosphatidic acid) production both in plasma and at the site of inflammation by 95% in rat adjuvant-induced arthritis model (30 mg/kg, p.o.).

Packaging

Packaged under inert gas

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.

Other Notes

Gierse, J., et al. 2010. J. Pharmacol. Exp. Ther.334, 310.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Standard Handling (A)

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c