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Troleandomycin

CAT: 0013-GTR19201874-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201874-01Size:5 mg
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Description
Troleandomycin, an orally bioavailable macrolide antibiotic, acts as a selective CYP3A inhibitor. It is utilized in pharmacological research for studying drug metabolism, enzyme interactions, and steroid-sparing effects in asthma models. Its application extends to investigating mechanisms of drug-induced cholestasis in both in vitro and in vivo systems.
CAS Number
2751-09-9
Product Name Alternative
Triacetyl Oleandomycin; TAO; NSC-108166
Field of Research
Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery
Purity
>98%
Bioactivity
Macrolide antibiotic, Inhibits cytochrome P450
Form
Powder
Solubility
Soluble in DMSO (up to 50 mg/ml) or in Ethanol (up to 25 mg/ml) .
Smiles
[H][C@@]1 (C[C@H] (OC) [C@@H] (OC (C) =O) [C@H] (C) O1) O[C@H]1[C@H] (C) [C@@H] (O[C@]2 ([H]) O[C@H] (C) C[C@@H] ([C@H]2OC (C) =O) N (C) C) [C@@H] (C) C[C@@]2 (CO2) C (=O) [C@H] (C) [C@@] ([H]) (OC (C) =O) [C@@H] (C) [C@@H] (C) OC (=O) [C@@H]1C
Molecular Formula
C41H67NO15
Molecular Weight
814.0
Storage Conditions
RT
Notes
For research use only.
Other Product Names
Oleandomycin,2”,4’,11-triacetate

Chemical Information

Troleandomycin

Troleandomycin is a semi-synthetic macrolide antibiotic obtained by acetylation of the three free hydroxy groups of oleandomycin. Troleandomycin is only found in individuals that have taken the drug. It has a role as a xenobiotic and an EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor. It is a macrolide antibiotic, a polyketide, an epoxide, an acetate ester, a monosaccharide derivative and a semisynthetic derivative. It is functionally related to an oleandomycin.

CAS Number2751-09-9
PubChem CID202225
IUPAC Name[(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
Molecular FormulaC41H67NO15
Molecular Weight814.0
XLogP4.3
Topological Polar Surface Area184
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count57
Formal Charge0
Complexity1430
SMILES
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C
InChI
InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1
InChIKey
LQCLVBQBTUVCEQ-QTFUVMRISA-N
Chemical Structure
2D Structure
2D structure of Troleandomycin
CAS: 2751-09-9
CID: 202225
Formula: C41H67NO15
MW: 814.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.0
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass813.45107043
Monoisotopic Mass813.45107043
Topological Polar Surface Area184 Ų
Heavy Atom Count57
Formal Charge0
Complexity1430
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1226-10Troleandomycin
HY-108881RTroleandomycin (Standard)
TBI2227-5MGTroleandomycin, Macrolide antibiotic, Inhibits cytochrome P450

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