| Identification | Back Directory | [Name]
KI16425 | [CAS]
355025-24-0 | [Synonyms]
CS-88
KI-6425
Debio 0719
Ki16425, >=98%
KI16425 USP/EP/BP
KI-16425; KI 16425
Ki16425 (Debio 0719)
KI16425;KI-16425; KI 16425
Ki 16425, 98%, competitive, potent and reversible antagonist to LPA
3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-methylisoxazol-5-yl)benzylthio)propanoic acid
3-((4-(4-(((1-(2-Chlorophenyl)ethoxy)carbonyl)amino)-3-methylisoxazol-5-yl)benzyl)thio)propano
3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-isoxazol-5-yl]phenyl]methylsulfanyl]propanoic acid
3-[[[4-[4-[[[1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazoly]phenyl]methyl]thio]-propanoic acid
3-[[[4-[4-[[[1-(2-Chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]propanoic acid
Propanoic acid, 3-[[[4-[4-[[[1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]- | [Molecular Formula]
C23H23ClN2O5S | [MDL Number]
MFCD06798341 | [MOL File]
355025-24-0.mol | [Molecular Weight]
474.963 |
| Chemical Properties | Back Directory | [Melting point ]
59.5-60.5 °C
| [Boiling point ]
623.7±55.0 °C(Predicted) | [density ]
1.353 | [storage temp. ]
2-8°C
| [solubility ]
DMSO: 16 mg/mL
| [form ]
solid
| [pka]
4.32±0.10(Predicted) | [color ]
white
| [InChI]
1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28) | [InChIKey]
LLIFMNUXGDHTRO-UHFFFAOYSA-N | [SMILES]
S(CCC(=O)O)Cc1ccc(cc1)c2[o]nc(c2NC(=O)OC(C)c3c(cccc3)Cl)C |
| Hazard Information | Back Directory | [Description]
Lysophosphatidic acid (LPA) is a bioactive lipid mediator that signals through five distinct G protein-coupled receptors (LPA1-5).1 Ki16425 is a LPA receptor antagonist with selectivity for LPA1 and LPA3. It exhibits Ki values of 0.34, 6.5, and 0.93 μM for the human LPA1, LPA2, and LPA3 receptors, respectively, as determined by measuring inositol phosphate production in RH7777-transfected cells.2 Ki1642, at 10 μM, significantly blocks the response of a variety of cancer cell lines to LPA-induced cell migration.3 | [Uses]
Ki 16425 has been used as a chemical inhibitor to study the regulation of LPA (lysophosphatidic acid) on LPAR(LPA receptor) subtypes. | [Uses]
Ki16425 is a competitive, potent and reversible antagonist to LPA1, LPA2 and LPA3. | [Definition]
ChEBI: 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid is a member of the class of isoxazoles that is the carbamate ester obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)ethyl hydrogen carbonate with the amino group of 3-({[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]methyl}sulfanyl)propanoic acid. It is a member of isoxazoles, a carbamate ester, a member of monochlorobenzenes, an organic sulfide and a monocarboxylic acid. | [Biochem/physiol Actions]
Ki 16425 possesses a short-lived inhibitory activity. It has been studied that Ki 16425 is effective in the inhibition of neuropathic pain‐like behaviors. | [storage]
Store at +4°C | [References]
[1]. ohta h, sato k, murata n, damirin a, malchinkhuu e, kon j, kimura t, tobo m, yamazaki y, watanabe t, yagi m, sato m, suzuki r, murooka h, sakai t, nishitoba t, im ds, nochi h, tamoto k, tomura h, okajima f. ki16425, a subtype-selective antagonist for edg-family lysophosphatidic acid receptors. mol pharmacol. 2003 oct;64(4):994-1005.
[2]. ruisanchez é, dancs p, kerék m, németh t, faragó b, balogh a, patil r, jennings bl, liliom k, malik ku, smrcka av, tigyi g, benyó z. lysophosphatidic acid induces vasodilation mediated by lpa1 receptors, phospholipase c, and endothelial nitric oxide synthase. faseb j. 2014 feb;28(2):880-90.
[3]. su sc, hu x, kenney pa, merrill mm, babaian kn, zhang xy, maity t, yang sf, lin x, wood cg. autotaxin-lysophosphatidic acid signaling axis mediates tumorigenesis and development of acquired resistance to sunitinib in renal cell carcinoma. clin cancer res. 2013 dec 1;19(23):6461-72.
[4]. david m, sahay d, mege f, descotes f, leblanc r, ribeiro j, clézardin p, peyruchaud o. identification of heparin-binding egf-like growth factor (hb-egf) as a biomarker for lysophosphatidic acid receptor type 1 (lpa1) activation in human breast and prostate cancers. plos one. 2014 may 14;9(5):e97771. |
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China Langchem Inc.
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Sigma-Aldrich
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