2-Hydroxyestradiol
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2-Hydroxyestradiol
structure -
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CAS No:
362-05-0
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Formula:
C18H24O3
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Chemical Name:
2-Hydroxyestradiol
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Synonyms:
Estra-1,3,5(10)-triene-2,3,17-triol,(17β)-;Estra-1,3,5(10)-triene-2,3,17β-triol;(17β)-Estra-1,3,5(10)-triene-2,3,17-triol;2-Hydroxyestradiol;2,3,17β-Trihydroxyestra-1,3,5(10)-triene;NSC 61711
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CAS No:
Description
Pale Yellow Solid
Solid
2-hydroxy-17beta-estradiol is a 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2. It has a role as a prodrug, a metabolite, a carcinogenic agent, a human metabolite and a mouse metabolite. It is a 2-hydroxy steroid and a 17beta-hydroxy steroid. It derives from a 17beta-estradiol.|2-Hydroxyestradiol is classified as an endogenous steroid, catechol estrogen, and metabolite of estradiol. It is also a positional isomer of estriol.|2-Hydroxyestradiol is a metabolite formed during the metabolism of 17beta-estradiol by hydroxylation of the carbon at position 2 by the CYP450 enzymes 1A1/1A2. Theoretically, 2-hydroxyestradiol (2-OHE2) is able to undergo redox cycling, which generates active radicals and induces DNA damage; however, this estradiol metabolite is very unstable in vivo and is quickly inactivated by catechol-O-methyltransferase (COMT)-mediated O-methylation and converted to 2-methoxyestradiol (2-MeE2). 2-MeE2 exerts antineoplastic activities through its estrogen receptor antagonistic effect and the induction of apoptosis in susceptible cancer cells.
Characteristics
60.7
3.53
Solid
1.2±0.1 g/cm3
161-162 °C
481.5±45.0 °C at 760 mmHg
227.6±23.3 °C
1.622
−20°C
Safety Information
NONH for all modes of transport
3
40
22-36
KG7675000
Xn
P281
H351
|Warning|H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Drug Information
2-hydroxyestradiol has known human metabolites that include 2-O-methoxyestradiol, 3-O-methoxyestradiol, and Estradiol 2-O-glucuronide.
2-hydroxyestradiol
2-Hydroxyestradiol Use and Manufacturing
A metabolite of Estradiol
Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C18 steroids (estrogens) and derivatives [ST0201]
Computed Properties
Molecular Weight:288.4
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:288.17254462
Monoisotopic Mass:288.17254462
Topological Polar Surface Area:60.7
Heavy Atom Count:21
Complexity:411
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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