42-O-[2-[[Hydroxy[2-(trimethylammonio)ethoxy]phosphinyl]oxy]ethyl] Rapamycin Inner Salt >75%

CAS: 1062645-51-5

Ref. TR-H972100

Product Information

• Name: 42-O-[2-[[Hydroxy[2-(trimethylammonio)ethoxy]phosphinyl]oxy]ethyl] Rapamycin Inner Salt >75%
• Synonyms: ATG 181
• Brand: TRC
• Description: Applications A phosphocholine ester metabolite of the immunosuppressant macrolide SDZ RAD (also known as Everolimus E945400) which is an analog of the parent drug Rapamycin (R124000).References Zollinger, M. et al.: Drug. Metab. Disp., 36, 1457 (2008); Kovarik, J. M., et al.: Clin. Pharmacol. Ther., 69, 48 (2001)

Chemical properties

• Molecular weight: 1123.35
• Formula: C₅₈H₉₅N₂O₁₇P
• Purity: >75%
• Color/Form: Neat
• InChI: InChI=1S/C58H95N2O17P/c1-37-19-15-14-16-20-38(2)49(70-11)35-45-24-22-43(7)58(67,77-45)55(64)56(65)59-26-18-17-21-46(59)57(66)76-50(36-47(61)39(3)32-42(6)53(63)54(72-13)52(62)41(5)31-37)40(4)33-44-23-25-48(51(34-44)71-12)73-29-30-75-78(68,69)74-28-27-60(8,9)10/h14-16,19-20,32,37,39-41,43-46,48-51,53-54,63,67H,17-18,21-31,33-36H2,1-13H3/b16-14+,19-15+,38-20+,42-32+/t37-,39-,40-,41-,43-,44+,45+,46+,48-,49-,50+,51-,53-,54+,58-/m1/s1
• SMILES: CO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCOP(=O)([O-])OCC[N+](C)(C)C)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C