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151555-47-4

151555-47-4 | Estra-1,3,5(10)-triene-3,17-diol, 11-[4-[[5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]-, (11β,17β)-

CAS No: 151555-47-4 Catalog No: AG001NEO MDL No:

Product Description

Catalog Number:
AG001NEO
Chemical Name:
Estra-1,3,5(10)-triene-3,17-diol, 11-[4-[[5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]-, (11β,17β)-
CAS Number:
151555-47-4
Molecular Formula:
C34H43F5O5S
Molecular Weight:
658.7592
IUPAC Name:
(8S,9R,11S,13S,14S,17S)-13-methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C34H43F5O5S/c1-32-21-28(31-26-13-9-24(40)20-23(26)8-12-27(31)29(32)14-15-30(32)41)22-6-10-25(11-7-22)44-17-3-2-4-18-45(42,43)19-5-16-33(35,36)34(37,38)39/h6-7,9-11,13,20,27-31,40-41H,2-5,8,12,14-19,21H2,1H3/t27-,28+,29-,30-,31+,32-/m0/s1
InChI Key:
SDCUWFRXMLQNCS-LFAPAAFUSA-N
SMILES:
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@H]2O)C)c1ccc(cc1)OCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F

Properties

Complexity:
1070  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
658.275g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
658.765g/mol
Monoisotopic Mass:
658.275g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8  

Literature

Title Journal
Coadministration of nanosystems of short silencing RNAs targeting oestrogen receptor alpha and anti-oestrogen synergistically induces tumour growth inhibition in human breast cancer xenografts. Breast cancer research and treatment 20100701
Pure antiestrogen-induced G1-arrest in myeloma cells results from the reduced kinase activity of cyclin D3/CDK6 complexes whereas apoptosis is mediated by endoplasmic reticulum-dependent caspases. International journal of cancer 20080501
Definition of functionally important mechanistic differences among selective estrogen receptor down-regulators. Cancer research 20071001
Facilitating antidepressant-like actions of estrogens are mediated by 5-HT1A and estrogen receptors in the rat forced swimming test. Psychoneuroendocrinology 20060901
Insulin-like growth factor binding protein 2 is a marker for antiestrogen resistant human breast cancer cell lines but is not a major growth regulator. Growth hormone & IGF research : official journal of the Growth Hormone Research Society and the International IGF Research Society 20060801
Improved antitumoral properties of pure antiestrogen RU 58668-loaded liposomes in multiple myeloma. The Journal of steroid biochemistry and molecular biology 20060701
Characterization of a human breast cancer cell line, MCF-7/RU58R-1, resistant to the pure antiestrogen RU 58,668. Breast cancer research and treatment 20050501
Role of the proteasome in the regulation of estrogen receptor alpha turnover and function in MCF-7 breast carcinoma cells. The Journal of steroid biochemistry and molecular biology 20050301
Death-associated protein kinase loss of expression is a new marker for breast cancer prognosis. Clinical cancer research : an official journal of the American Association for Cancer Research 20040501
Regulation of estrogen receptor (ER) isoform messenger RNA expression by different ER ligands in female rat pituitary. Biology of reproduction 20040301
Pure antiestrogen RU 58668-loaded nanospheres: morphology, cell activity and toxicity studies. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20040201
Mechanisms governing the accumulation of estrogen receptor alpha in MCF-7 breast cancer cells treated with hydroxytamoxifen and related antiestrogens. The Journal of steroid biochemistry and molecular biology 20031101
Various phosphorylation pathways, depending on agonist and antagonist binding to endogenous estrogen receptor alpha (ERalpha), differentially affect ERalpha extractability, proteasome-mediated stability, and transcriptional activity in human breast cancer cells. Molecular endocrinology (Baltimore, Md.) 20031001
In vitro and in vivo biologic evaluation of long-circulating biodegradable drug carriers loaded with the pure antiestrogen RU 58668. International journal of cancer 20030901
Polyester-poly(ethylene glycol) nanoparticles loaded with the pure antiestrogen RU 58668: physicochemical and opsonization properties. Pharmaceutical research 20030701
A functional androgen receptor is not sufficient to allow estradiol to protect bone after gonadectomy in estradiol receptor-deficient mice. The Journal of clinical investigation 20030501
Dexamethasone blocks antioestrogen- and oxidant-induced death of pituitary tumour cells. The Journal of endocrinology 20010501
Inhibition of volume-regulated anion channels in cultured endothelial cells by the anti-oestrogens clomiphene and nafoxidine. British journal of pharmacology 20010101

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