Home Other Building Blocks 3A-HYDROXYTIBOLONE

3A-HYDROXYTIBOLONE

CAS No.:
100239-44-9
Catalog Number:
AG008Y3C
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008Y3C
Chemical Name:
3A-HYDROXYTIBOLONE
CAS Number:
100239-44-9
MDL Number:
MFCD04039568
IUPAC Name:
(3R,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m1/s1
InChI Key:
YLEUWNOTNJZCBN-CZTKNSHGSA-N
UNII:
37T303O94A
Properties
Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
314.225g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
314.469g/mol
Monoisotopic Mass:
314.225g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Bioequivalence studies of tibolone in premenopausal women and effects on expression of the tibolone-metabolizing enzyme AKR1C (aldo-keto reductase) family caused by estradiol. Journal of clinical pharmacology 20081201
Effects of tibolone metabolites on human endometrial cell lines in co-culture. Reproductive sciences (Thousand Oaks, Calif.) 20080101
Anti-tumor-Promoting activity of tibolone and its metabolites. Arzneimittel-Forschung 20080101
Agonist activity of the 3-hydroxy metabolites of tibolone through the oestrogen receptor in the mouse N20.1 oligodendrocyte cell line and normal human astrocytes. Journal of neuroendocrinology 20071201
3-ketosteroid reductase activity and expression by fetal rat osteoblasts. The Journal of biological chemistry 20071123
Pharmacokinetic parameters of tibolone and metabolites in plasma, urine, feces, and bile from ovariectomized cynomolgus monkeys after a single dose or multiple doses of tibolone. Drug metabolism and disposition: the biological fate of chemicals 20070701
Selective tissue distribution of tibolone metabolites in mature ovariectomized female cynomolgus monkeys after multiple doses of tibolone. Drug metabolism and disposition: the biological fate of chemicals 20070701
Levels of tibolone and estradiol and their nonsulfated and sulfated metabolites in serum, myometrium, and vagina of postmenopausal women following treatment for 21 days with tibolone, estradiol, or estradiol plus medroxyprogestrone acetate. Reproductive sciences (Thousand Oaks, Calif.) 20070201
Sulfation of tibolone metabolites by human postmenopausal liver and small intestinal sulfotransferases (SULTs). Steroids 20060501
Effects of 17beta-estradiol, progesterone, synthetic progestins, tibolone, and raloxifene on vascular endothelial growth factor and Thrombospondin-1 messenger RNA in breast cancer cells. International journal of gynecological cancer : official journal of the International Gynecological Cancer Society 20060101
Endothelium-dependent dilatory effects of 3alpha-OH-tibolone in gracilis muscle arterioles of the female Wistar rat. Menopause (New York, N.Y.) 20050101
Acute actions of 3 alpha-hydroxy-tibolone on factors influencing contraction in guinea-pig ventricular myocytes. European journal of pharmacology 20040126
Effect of tibolone and its metabolites on vascular endothelial growth factor isoforms 121 and 165 and thrombospondin-1 mRNA in Ishikawa cells. Menopause (New York, N.Y.) 20040101
Properties