CAS Number531-95-3
Synonyms(3S)-3-(4-Hydroxyphenyl)chroman-7-ol; (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol; Equol; (3S)-3-(4-Hydroxyphenyl)-7-chromanol; (S)-Equol; EINECS 208-522-2; (-)-Equol; 4',7-DIHYDROXYISOFLAVAN; (S)-3-(4-Hydroxyphenyl)chroman-7-ol; R,S-EQUOL; MFCD00200962; 7,4'-ISOFLAVANDIOL; 4',7-ISOFLAVANDIOL; (-)-(S)-Equol
Molecular FormulaC15H14O3
Molecular Weight242.27
Purity≥97 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point441.7±45.0 °C at 760 mmHg
Melting Point189-190ºC
Appearancepowder
EINECS208-522-2
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 531-95-3 |
| Catalog No. | 2A-9022575 |
| Chinese Name | 雌马酚 |
| Synonyms | (3S)-3-(4-Hydroxyphenyl)chroman-7-ol; (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol; Equol; (3S)-3-(4-Hydroxyphenyl)-7-chromanol; (S)-Equol; EINECS 208-522-2; (-)-Equol; 4',7-DIHYDROXYISOFLAVAN; (S)-3-(4-Hydroxyphenyl)chroman-7-ol; R,S-EQUOL; MFCD00200962; 7,4'-ISOFLAVANDIOL; 4',7-ISOFLAVANDIOL; (-)-(S)-Equol |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.27 |
| Purity | ≥97 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 441.7±45.0 °C at 760 mmHg |
| Melting Point | 189-190ºC |
| Appearance | powder |
| Storage Condition | -20°C Freezer |
| Application | (-)-(S)-Equol is a high-affinity ligand for estrogen receptor β. |
| EINECS | 208-522-2 |
| HTC | 2932999099 |
| MDL Number | MFCD00200962 |
| SMILES | OC1=CC=C([C@H]2COC3=CC(O)=CC=C3C2)C=C1 |
| InChI | 1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1 |
| InChI Key | ADFCQWZHKCXPAJ-GFCCVEGCSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| MSDS | msds/22575_1_531_95_3.pdf |
| Use of | (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. Properties Name Equol Synonym More Synonyms 4',7-Isoflavandiol Biological Activity Description (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer Research Areas >> Metabolic Disease Research Areas >> Neurological Disease Natural Products >> Phenols Human Endogenous Metabolite In Vivo (-)-(S)-Equol inhibits the tumor growth by 43.2% and 28.4% compared to the control on day 33, suggesting that the compound is not overtly toxic[2]. References [1]. Setchell KD, et al. S-equol, a potent ligand for estrogen receptor beta, is the exclusive enantiomeric form of the soy isoflavone metabolite produced by human intestinal bacterial flora. Am J Clin Nutr. 2005 May;81(5):1072-9. [2]. Lu Z, et al. S-equol, a Secondary Metabolite of Natural Anticancer Isoflavone Daidzein, Inhibits Prostate Cancer Growth In Vitro and In Vivo, Though Activating the Akt/FOXO3a Pathway. Curr Cancer Drug Targets. 2016;16(5):455-65. [3]. Horiuchi H, et al. S-equol nantioselectively activates cAMP-protein kinase A signaling and reduces alloxan-induced cell death in INS-1 pancreatic β-cells. J Nutr Sci Vitaminol (Tokyo). 2014;60(4):291-6. Chemical & Physical Properties Molecular Formula C15H14O3 Exact Mass 242.094299 PSA 49.69000 Index of Refraction 1.645 InChIKey ADFCQWZHKCXPAJ-GFCCVEGCSA-N Safety Information WGK Germany 3 HS Code 2932999099 Synthetic Route 3-(4-methoxyphe... 10499-17-9 4',7-Isofla... 4',7-Isofla... 1370331-08-0 4',7-Isofla... Literature: Tilley, Andrew J.; Zanatta, Shannon D.; Qin, Cheng Xue; Kim, In-Kyeom; Seok, Young-Mi; Stewart, Alastair; Woodman, Owen L.; Williams, Spencer J. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 7 p. 2353 - 2361 Precursor & DownStream Precursor 7 CAS#:10499-17-9 3-(4-methoxyphe... CAS#:486-66-8 CAS#:3682-01-7 Daidzein Diacetate CAS#:1118431-82-5 (±)-7-O-methy... DownStream 2 CAS#:3722-56-3 (3S)-3,4-Dihydr... CAS#:486-66-8 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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