MedKoo Cat#: 150071 | Name: 4-Hydroxyestrone

Description:

WARNING: This product is for research use only, not for human or veterinary use.

4-Hydroxyestrone (4-OHE1) is a carcinogenic metabolite originating from 17beta-estradiol (17β-E2) hormone. 4-OHE1 is a partial estrogen agonist on cancellous bone turnover, similar to 17β-E2, is able to emit electrons from its excited singlet state.

Chemical Structure

4-Hydroxyestrone
4-Hydroxyestrone
CAS#3131-23-5

Theoretical Analysis

MedKoo Cat#: 150071

Name: 4-Hydroxyestrone

CAS#: 3131-23-5

Chemical Formula: C18H22O3

Exact Mass: 286.1569

Molecular Weight: 286.37

Elemental Analysis: C, 75.50; H, 7.74; O, 16.76

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
4-Hydroxyestrone; 4-Hydroxy Estrone;
IUPAC/Chemical Name
3,4-Dihydroxyestra-1,3,5(10)-trien-17-one
InChi Key
XQZVQQZZOVBNLU-QDTBLXIISA-N
InChi Code
1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
SMILES Code
C[C@]1([C@](CC2)([H])[C@]3([H])CCC4=C(C=CC(O)=C4O)[C@@]3([H])CC1)C2=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 286.37 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Choi HJ, Lee AJ, Kang KS, Song JH, Zhu BT. 4-Hydroxyestrone, an Endogenous Estrogen Metabolite, Can Strongly Protect Neuronal Cells Against Oxidative Damage. Sci Rep. 2020 Apr 29;10(1):7283. doi: 10.1038/s41598-020-62984-y. PMID: 32350290; PMCID: PMC7190733. 2: Lauro FV, Francisco DC, Marcela RN, Maria LR, Alejandra GE, Virginia MA, Yazmin OA. Effective synthesis of a hexacyclic-steroid derivative from 4-hydroxyestrone. Steroids. 2020 Nov;163:108715. doi: 10.1016/j.steroids.2020.108715. Epub 2020 Aug 24. PMID: 32853676. 3: Wang H, Hou MJ, Liao L, Li P, Chen T, Wang P, Zhu BT. Strong Protection by 4-Hydroxyestrone against Erastin-Induced Ferroptotic Cell Death in Estrogen Receptor-Negative Human Breast Cancer Cells: Evidence for Protein Disulfide Isomerase as a Mechanistic Target for Protection. Biochemistry. 2024 Apr 16;63(8):984-999. doi: 10.1021/acs.biochem.3c00261. Epub 2024 Apr 3. PMID: 38569593; PMCID: PMC11025120. 4: Emons G, Hoppen HO, Ball P, Knuppen R. 4-hydroxyestrone, isolation and identification in human urine. Steroids. 1980 Jul;36(1):73-9. doi: 10.1016/0039-128x(80)90069-0. PMID: 7414657. 5: Emons G, Klinger B, Haupt O, Ball P. Radioimmunoassay for 4-hydroxyestrone 4-methyl ether in human urine. Horm Metab Res. 1982 Jul;14(7):376-9. doi: 10.1055/s-2007-1019020. PMID: 6288541. 6: Williams JG, Longcope C, Williams KI. 4-Hydroxyestrone: a new metabolite of estradiol-17 beta from humans. Steroids. 1974 Nov;24(5):687-701. doi: 10.1016/0039-128x(74)90021-x. PMID: 4616428.