For research use only. Not for therapeutic Use.
42-(2-Tetrazolyl)rapamycin is a proagent compound of a rapamycin analog extracted from patent US 20080171763 A1, Example 1. Rapamycin is a specific mTOR inhibitor.
| Catalog Number | I012998 |
| CAS Number | 221877-56-1 |
| Synonyms | (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
| Molecular Formula | C52H79N5O12 |
| Purity | ≥95% |
| InChI | InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-54-30-53-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1 |
| InChIKey | IURNHYDSJVLLPN-JUKNQOCSSA-N |
| SMILES | CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)N5N=CN=N5)C)C)O)OC)C)C)C)OC |
| Reference | [1]. Karl W. Mollison, et al. Compounds and methods for treatment and prevention of diseases. US 20080171763 A1. [2]. Ballou LM, et al. Rapamycin and mTOR kinase inhibitors. J Chem Biol. 2008 Nov;1(1-4):27-36. |
