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U18666A

CAT: 0013-GTR19155337-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155337-08Size:100 mg
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Description
U18666A is a cell-permeable drug and is a cholesterol synthesis and transport inhibitor. It inhibits replication of Ebola virus, dengue virus, and human hepatitis C virus.
CAS Number
3039-71-2
Purity
>98% (HPLC)
Solubility
DMSO:50 mg/mL (117.91 mM; Need ultrasonic) ; H2O:10 mg/mL (23.58 mM; Need ultrasonic)
Smiles
C[C@@]12[C@]3 ([H]) [C@] (CC=C1C[C@@H] (OCCN (CC) CC) CC2) ([H]) [C@@]4 ([H]) [C@@] (C) (C (CC4) =O) CC3.Cl
Molecular Formula
C25H42ClNO2
Molecular Weight
424.06
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride

3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride is a hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor. It has a role as a Hedgehog signaling pathway inhibitor, an antiviral agent, a nicotinic antagonist, an EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor and a sterol biosynthesis inhibitor. It contains a 3beta-(2-diethylaminoethoxy)androst-5-en-17-one(1+).

CAS Number3039-71-2
PubChem CID9954082
IUPAC Name(3S,8R,9S,10R,13S,14S)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;hydrochloride
Molecular FormulaC25H42ClNO2
Molecular Weight424.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity624
SMILES
CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C.Cl
InChI
InChI=1S/C25H41NO2.ClH/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24;/h7,19-22H,5-6,8-17H2,1-4H3;1H/t19-,20-,21-,22-,24-,25-;/m0./s1
InChIKey
GZFYZYBWLCYBMI-MYZJJQSMSA-N
Chemical Structure
2D Structure
2D structure of 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride
CAS: 3039-71-2
CID: 9954082
Formula: C25H42ClNO2
MW: 424.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass423.2904073
Monoisotopic Mass423.2904073
Topological Polar Surface Area29.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C14401-10mM/1mLU18666A
A20195-10U18666A 10mg
A20195-100U18666A 100mg
A20195-2U18666A 2mg
A20195-200U18666A 200mg
A20195-50U18666A 50mg
A20195-25U18666A 25mg
A20195-5U18666A 5mg
A20195-1U18666A 1mg
A20195-10mM-DU18666A 10mM * 1mL in DMSO

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