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Umirolimus

CAT: 0013-GTR19198546-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198546-02Size:5 mg
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Description
Umirolimus is a biodegradable polymer derivative of sirolimus with superior pharmacokinetics, exhibiting potent anti-inflammatory and antiproliferative properties. It is utilized in cardiovascular research, particularly for studying drug-eluting stents in in vivo models and assessing smooth muscle cell proliferation in vitro.
CAS Number
851536-75-9
Field of Research
Infectious Disease & Virology
Smiles
[H][C@@]12CC[C@@H] (C) [C@@] (O) (O1) C (=O) C (=O) N1CCCC[C@@]1 ([H]) C (=O) O[C@@] ([H]) (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 (C) \[C@H] (C2) OC) [C@H] (C) C[C@@H]1CC[C@@H] (OCCOCC) [C@@H] (C1) OC
Molecular Formula
C55H87NO14
Molecular Weight
986.294
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Biolimus A9

sirolimus derivative from a biodegradable polylactic acid polymer; possesses enhanced anti-inflammatory and antiproliferative activity with an improved pharmacokinetic profile; structure in first source

CAS Number851536-75-9
PubChem CID11158972
IUPAC Name(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
Molecular FormulaC55H87NO14
Molecular Weight986.3
XLogP6.8
Topological Polar Surface Area194
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count70
Formal Charge0
Complexity1840
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
InChI
InChI=1S/C55H87NO14/c1-12-67-26-27-68-45-24-22-41(31-48(45)65-10)30-37(5)47-33-44(57)36(4)29-39(7)50(59)51(66-11)49(58)38(6)28-34(2)18-14-13-15-19-35(3)46(64-9)32-42-23-21-40(8)55(63,70-42)52(60)53(61)56-25-17-16-20-43(56)54(62)69-47/h13-15,18-19,29,34,36-38,40-43,45-48,50-51,59,63H,12,16-17,20-28,30-33H2,1-11H3/b15-13+,18-14+,35-19+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,50-,51+,55-/m1/s1
InChIKey
YYSFXUWWPNHNAZ-PKJQJFMNSA-N
Chemical Structure
2D Structure
2D structure of Biolimus A9
CAS: 851536-75-9
CID: 11158972
Formula: C55H87NO14
MW: 986.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight986.3
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass985.61265645
Monoisotopic Mass985.61265645
Topological Polar Surface Area194 Ų
Heavy Atom Count70
Formal Charge0
Complexity1840
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1298-25Umirolimus
HY-122402SUmirolimus-d5

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