(19E/Z)-seco-[4-O-(2-Hydroxyethyl)] Rapamycin Sodium Salt, ~70%

CAS: 1062122-63-7 220127-31-1

Ref. TR-H825290

Product Information

• Name: (19E/Z)-seco-[4-O-(2-Hydroxyethyl)] Rapamycin Sodium Salt, ~70%
• Synonyms: seco Everolimus Sodium Salt,(2S)-1-[2-oxo-2-[(2R,3R,6S)-tetrahydro-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E/Z,21R)-14-hydroxy-22-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-docosapentaen-1-yl]-3-methyl-2H-pyran-2-yl]acetyl]-2-piperidinecarboxylic Acid Sodium Salt

Description

Stability Light Sensitive
Applications Metabolite of the immunosuppressant macrolide SDZ RAD (also known as Everolimus E945400) which is an analog of the parent drug Rapamycin (R124000).
References Vidal, C. et al.: J. Am. Soc. Mass Spec., 9, 1267 (1998); Kovarik, J. M., et al.: Clin. Pharmacol. Ther., 69, 48 (2001);

• Brand: TRC

Chemical properties

• Molecular weight: 980.21
• Formula: C₅₃H₈₂NNaO₁₄
• Purity: ~70%
• Color/Form: Neat
• InChI: InChI=1S/C53H83NO14.Na/c1-33(16-12-11-13-17-35(3)45(64-8)32-41-22-20-39(7)53(63,68-41)50(59)51(60)54-25-15-14-18-42(54)52(61)62)28-37(5)47(57)49(66-10)48(58)38(6)30-36(4)43(56)23-19-34(2)29-40-21-24-44(67-27-26-55)46(31-40)65-9;/h11-13,16-17,19,23,30,33-34,36-37,39-42,44-46,48-49,55,58,63H,14-15,18,20-22,24-29,31-32H2,1-10H3,(H,61,62);/q;+1/p-1/b13-11+,16-12+,23-19+,35-17+,38-30+;/t33-,34+,36-,37-,39-,40+,41+,42+,44-,45+,46-,48-,49+,53-;/m1./s1
• InChI key: InChIKey=JZTVNCOLMGNTNU-MLOFORPHSA-M
• SMILES: CO[C@@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[Na])O1)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@H](OC)C1