(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
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![(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9ee771857290487e941f75d6c9b7ca41.png "(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one")
(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
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CAS No:
28507-02-0
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Formula:
C19H29BrO2
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Chemical Name:
(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
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Synonyms:
16 alpha-bromoepiandrosterone;16-Br-epi;16-bromoepiandrosterone;Inactivin;16alpha-Bromoepiandrosterone;HE2000;Epi-Br;HE-2000;16-Bromoepiandrosterone;28507-02-0;PPB2;UNII-9735KA370S;HE 2000;16.alpha.-Bromoepiandrosterone;CHEMBL445472;9735KA370S;(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;Immunitin;Alpha-Epi-Br;(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-one;16-Br-Epi;Epiandrosterone, 16-Bromo;DHEA analog;.alpha.-epibromide;SCHEMBL425458;16alpha-Bromo-3beta-hydroxy-5alpha-androstan-17-one;3beta-Hydroxy-16alpha-bromo-5alpha-androstan-17-one;5alpha-Androstan-17-one, 16alpha-bromo-3beta-hydroxy-;ZINC3975381;BDBM50388517;DB05107;Q27095570;16-.alpha.-Bromo-3-.beta.-hydroxyandrost-5-en-17-one;Androstan-17-one, 16-bromo-3-hydroxy-, (3beta,5alpha,16alpha)-
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CAS No:
Description
16-Bromoepiandrosterone is an injectable formulation of a compound called alpha-epi-bromide. It is a chemical relative of DHEA which was selected for development after it showed antiretroviral activity in laboratory tests.
(3S,5S,8R,9S,10S,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one Basic Attributes
369.3 g/mol
368.13509 g/mol
9735KA370S
Drug Information
Investigated for use/treatment in cystic fibrosis, HIV infection, hepatitis (viral, B), and malaria.
HE2000 interacts with certain enzymes, including G6PDH (glucose 6 phosphate dehydrogenase); these enzymes could be involved in the mechanism. Also, the compound is in the steroid hormone series, and involved in control mechanisms in our cells that are much more complex, interacting with receptors and therefore changing the biochemistry of cells. This compound may have many modes of action; we are trying to understand what they may be.
16 alpha-bromoepiandrosterone
Computed Properties
Molecular Weight:369.3
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:368.13509
Monoisotopic Mass:368.13509
Topological Polar Surface Area:37.3
Heavy Atom Count:22
Complexity:492
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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