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Chemical structure of Umirolimus

GC45114

Umirolimus

Also known as (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-(2-ethoxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-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

Umirolimus is a semi-synthetic macrocyclic lactone and a derivative of rapamycin that has immunosuppressive and anti-inflammatory effects

ChemicalCAS851536-75-9MW986.3FormulaC55H87NO14
CAS number
851536-75-9
Molecular weight
986.3
Formula
C55H87NO14
Solubility
DMSO : 100 mg/mL (101·39 mM; Need ultrasonic)
InChIKey
YYSFXUWWPNHNAZ-PKJQJFMNSA-N
Catalogue number
GC45114
Brand
GLPBIO
Computed properties PubChem CID 11158972 · XLogP 6.8 · TPSA 194 Ų · H-bond donors 2
XLogP
6.8
TPSA
194 Ų
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
11
Heavy atoms
70

SMILES CCOCCO[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C

Computed descriptors from PubChem (CID 11158972), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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