635701-59-6

Basic information

• Product Name: Merck SIP Agonist
• Synonyms: Merck SIP Agonist;3-Azetidinecarboxylic acid, 1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-;1-[4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzyl]azetidine-3-carboxylic acid;butylphenyl)-1,2,4-oxadiaz1-(4-(5-(4-isool-3-yl)benzyl)azetidine-3-carboxylic acid;1-(4-(5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid;SHQNRSGKLNMHOS-UHFFFAOYSA-N
• CAS NO: 635701-59-6
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.469
• Mol File: 635701-59-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 565.9±60.0 °C(Predicted)
• Appearance: /
• Density: 1.228±0.06 g/cm3(Predicted)
• PKA: 2.66±0.20(Predicted)
• CAS DataBase Reference: Merck SIP Agonist(CAS DataBase Reference)
• NIST Chemistry Reference: Merck SIP Agonist(635701-59-6)
• EPA Substance Registry System: Merck SIP Agonist(635701-59-6)

Safety Data

• Hazardous Substances Data: 635701-59-6(Hazardous Substances Data)

Usage

Description

CAY10734 is an agonist of sphingosine-1-phosphate receptor 1 (S1P1; IC50 = 0.6 nM). It selectively binds S1P1 over S1P2, S1P3, and S1P4 receptors (IC50s = >10,000, 12,000, and 70 nM, respectively) but does also bind S1P5 receptors (IC50 = 1 nM) in radioligand binding assays. CAY10734 reduces the number of peripheral blood lymphocytes in mice, rats, and dogs, with the maximal response achieved when administered at doses of 10, 0.5, and 0.5 mg/kg, respectively. It increases graft survival in a rat skin allograft model when administered at a dose of 5 mg/kg per day in combination with cyclosporin A (CsA; ).

Upstream product

• 635701-88-1 4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]-benzaldehyde 
• 36476-78-5 3-azetidinecarboxylic acid 
• 1233243-49-6 (Z)-N'-hydroxy-4-(hydroxymethyl)benzimidamide 
• 635702-23-7 N-hydroxy-4-(hydroxymethyl)benzenecarboximidamide 
• 874-89-5 4-Cyanobenzyl alcohol 
• 635702-24-8 4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]-benzyl alcohol 
• 635702-23-7 (E)-N′-hydroxy-4-(hydroxymethyl)benzimidamide 

Relevant articles and documents

IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

The present invention provides a compound represented by formula I, wherein R is a halogen element or a C1-C6 alkyl group. The compound has S1 P1 receptor agonist activity and selective specificity and has obviously-shortened half-life in-vivo, and therefore the compound is a high-quality second-generation S1P1 receptor agonist. The present invention also provides a use of the compound in preparing medicine for treating diseases or symptoms mediated by an S1P1 receptor, a pharmaceutical composition comprising the compound, and uses of the compound and the pharmaceutical composition in treating diseases or symptoms mediated by the S1 P1 receptor.

PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID

The present invention is directed to an improved process for synthesizing azetidine-3-carboxylic acid, comprising triflating diethylbis(hydroxymethyl)malonate followed by azetidine ring-formation by intramolecular cyclization using an amine, decarboxylation to give the mono acid azetidine and hydrogenation to give the title compound. Azetidine-3-carboxylic acid is useful as an intermediate for making certain S1P?1#191/Edg1 receptor agonists, which are immunosupressive agents.