(5S)-5-Hydroxy-6-heptynoic Acid 1-Methylethyl Ester

CAS: 1251537-14-0

Ref. TR-H942798

Product Information

• Name: (5S)-5-Hydroxy-6-heptynoic Acid 1-Methylethyl Ester
• Synonyms: (S)-Isopropyl 5-hydroxyhept-6-ynoate
• Brand: TRC
• Description: Applications (5S)-5-Hydroxy-6-heptynoic Acid 1-Methylethyl Ester is an intermediate in synthesizing Resolvin E1 Sodium Salt (R144690), which is an omega-3 polyunsaturated fatty acid derivative that exhibits potent anti-inflammatory, pro-resolution, and anti-nociceptive effects. Resolvin E1 has been shown to inhibit neuropathic pain and spinal cord microgial activation following peripheral nerve injury.References Xu, Z.Z. et al.: J. Neuroimm. Pharamcol., 2012; Schwab, J.M. et al.: Nature, 447, 869 (2007)

Chemical properties

• Molecular weight: 279.249
• Formula: C₁₂H₁₃N₃O₅
• Color/Form: Neat
• InChI: InChI=1S/C12H13N3O5/c16-5-8-7(17)3-10(20-8)15-4-6-1-2-9(18)13-11(6)14-12(15)19/h1-2,4,7-8,10,16-17H,3,5H2,(H,13,14,18,19)/t7-,8+,10+/m0/s1
• InChI key: InChIKey=HVLCOPJJBYXLCO-QXFUBDJGSA-N
• SMILES: O=c1ccc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2[nH]1