LPA5 antagonist 1

• CAT Number: I042822
• CAS Number: 2839471-45-1
• Molecular Formula: C28H26N2O4S
• Molecular Weight: 486.58
• Purity: ≥95%
• Synonyms: 4-(4-ethynylpiperidine-1-carbonyl)-6,7-dimethoxy-2-(3-methyl-1-benzothiophen-5-yl)isoquinolin-1-one
• InChI: InChI=1S/C28H26N2O4S/c1-5-18-8-10-29(11-9-18)27(31)23-15-30(19-6-7-26-20(12-19)17(2)16-35-26)28(32)22-14-25(34-4)24(33-3)13-21(22)23/h1,6-7,12-16,18H,8-11H2,2-4H3
• InChIKey: KNTSYYKDKFNRKN-UHFFFAOYSA-N
• SMILES: CC1=CSC2=C1C=C(C=C2)N3C=C(C4=CC(=C(C=C4C3=O)OC)OC)C(=O)N5CCC(CC5)C#C

LPA5 antagonist 1 (Compound 66) is a potent and selective lysophosphatidic acid receptor 5 (LPA5) antagonist (IC50=32 nM). LPA5 antagonist 1 shows high brain permeability and anti-nociceptive activity. LPA5 antagonist 1 can be used in inflammatory and neuropathic pain research[1]. LPA5 antagonist 1 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
LPA5 antagonist 2 (0-10 μM) inhibits hLPA5 calcium mobilization with an IC50 value of 32 nM[1].
LPA5 antagonist 2 (0-10 μM) shows good target selectivity for LPA5[1].
LPA5 antagonist 1 (intraperitoneal injection; 17.8 mg/kg; once) treatment shows good brain exposure in vivo[1].
LPA5 antagonist 1 (intraperitoneal injection; 5.6, 10, and 17.8 mg/kg; once) treatment reduces mechanical allodynia in inflammatory pain model[1].

Reference

[1]. Zhang DH, et al. Isoquinolone derivatives as lysophosphatidic acid receptor 5 (LPA5) antagonists: Investigation of structure-activity relationships, ADME properties and analgesic effects. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. Volume 243, 5 December 2022, 114741.