57830-13-4

Basic information

• Product Name: 2-methyl-4-phenoxybenzoic acid
• Synonyms: 2-methyl-4-phenoxybenzoic acid
• CAS NO: 57830-13-4
• Molecular Weight: 228.247
• Mol File: 57830-13-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 371.0±30.0 °C(Predicted)
• Density: 1.208±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2-methyl-4-phenoxybenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-4-phenoxybenzoic acid(57830-13-4)
• EPA Substance Registry System: 2-methyl-4-phenoxybenzoic acid(57830-13-4)

Safety Data

• Hazardous Substances Data: 57830-13-4(Hazardous Substances Data)

Upstream product

• 321-21-1 4-fluoro-2-methylbenzoic acid 
• 57830-12-3 C₁₄H₁₂O₂ 
• 108-95-2 phenol 
• 63082-45-1 4-fluoro-2-methylbenzaldehyde 

Downstream Products

• 1374689-33-4 C₂₀H₁₆N₂O₃S 

Relevant articles and documents

Modulators of methyl modifying enzymes, compositions and uses thereof

Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein.

Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist

S1P3-sparing S1P1 agonists have attracted attention as a suppressant of autoimmunity with reduced side effects. Our synthetic efforts and extensive SAR studies led to the discovery of 10b named CS-2100 with the EC50 value of 4.0 nM for human S1P1 and over 5000-fold selectivity against S1P3. The in vivo immunosuppressive efficacy was evaluated in rats on host versus graft reaction and the ID 50 value was determined at 0.407 mg/kg. The docking studies of CS-2100 with the homology model of S1P1 and S1P3 showed that the ethyl group on the thiophene ring of CS-2100 was sterically hindered by Phe263 in S1P3, not in the case of Leu276 in S1P1. This observation gives an explanation for the excellent S1P3-sparing characteristic of CS-2100.