913829-13-7

Basic information

• Product Name: (4-ethyl-5-{5-[4-(2-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-3-yl}-2-thienyl)methanol
• CAS NO: 913829-13-7
• Molecular Weight: 408.478
• Mol File: 913829-13-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (4-ethyl-5-{5-[4-(2-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-3-yl}-2-thienyl)methanol(CAS DataBase Reference)
• NIST Chemistry Reference: (4-ethyl-5-{5-[4-(2-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-3-yl}-2-thienyl)methanol(913829-13-7)
• EPA Substance Registry System: (4-ethyl-5-{5-[4-(2-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-3-yl}-2-thienyl)methanol(913829-13-7)

Safety Data

• Hazardous Substances Data: 913829-13-7(Hazardous Substances Data)

Upstream product

• 230623-72-0 (4-bromo-thiophene-2-ylmethoxy)-tert-butyl-dimethylsilane 
• 90-05-1 2-methoxy-phenol 
• 79757-77-0 (4-bromothiophen-2-yl)methanol 
• 459-57-4 4-fluorobenzaldehyde 
• 103203-54-9 4-(2-methoxyphenoxy)benzoic acid 
• 78725-48-1 4-(2-methoxyphenoxy)benzaldehyde 
• 913828-80-5 tert-butyl[(4-ethyl-2-thienyl)methoxy]dimethylsilane 
• 913828-83-8 5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-ethyl-N'-hydroxythiophene-2-carboximidamide 
• 913828-82-7 5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-ethylthiophene-2-carbonitrile 
• 1028947-14-9 C₁₄H₂₅NO₂SSi 
• 913828-81-6 5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-ethylthiophene-2-carboxaldehyde 
• 18791-75-8 4-Bromothiophen-2-aldehyde 

Relevant articles and documents

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.