Temsirolimus-[d3]

General Information
Catalog: BLP-007920
Molecular Formula: C56H84D3NO16
Molecular Weight: 1033.31
Related CAS: 162635-04-3 (unlabelled)
Description Temsirolimus-[d3] is the labelled analogue of Temsirolimus, which potently inhibits mTOR kinase activity.
Synonyms Temsirolimus-d3; Rapamycin 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate-d3; CCL-779-d3; Torisel-d3
IUPAC Name [(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3,3,3-trideuterio-2,2-bis(hydroxymethyl)propanoate
Canonical 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)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC
InChI InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1/i8D3
InChI Key CBPNZQVSJQDFBE-RAWNTZRISA-N
Melting Point 114-116°C
Purity ≥95%; ≥97% atom D
Solubility Soluble in Chloroform, Ethyl Acetate
Appearance White Solid
Storage Store at -20°C

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