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U-18666A - 98%, high purity , CAS No.3039-71-2
Inhibitor of cholesterol synthesis and cellular\xa0transport
Basic Description
Synonyms
hydrochloride | (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 | CS-0028465 | U18666A | U-18666A | A)- | C22H28Cl2N2.2HCl | EN300-216090 | Tox21_112792
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Inhibitor of cholesterol synthesis and cellular transport. Impairs intracellular transport of LDL-derived cholesterol in CHO cells. Blocks the ability of LDL-derived cholesterol to suppress HMG-CoA reductase and LDL receptor activity. Weak inhibitor of He
Storage Temp
Store at -20°C,Argon charged,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Refer to SDS for further information . Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Androstane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Androstane steroids
Alternative Parents
17-oxosteroids Delta-5-steroids Trialkylamines Ketones Dialkyl ethers Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Androstane-skeleton - 17-oxosteroid - Oxosteroid - Delta-5-steroid - Ketone - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as androstane steroids. These are steroids with a structure based on the 19-carbon androstane skeleton.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504765149
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504765149
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
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
Smiles
CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C.Cl
Isomeric 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
WGK Germany
3
PubChem CID
9954082
Molecular Weight
424.06
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO to 50 mM and in water to 50 mM;Soluble in water at 10mg/ml
Molecular Weight
424.100 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
423.29 Da
Monoisotopic Mass
423.29 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
624.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
6
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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