Home Other Building Blocks Phosphonic acid, P,P'-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-, P,P,P',P'-tetraethyl ester

Phosphonic acid, P,P'-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-, P,P,P',P'-tetraethyl ester

CAS No.:
126411-39-0
Catalog Number:
AG000SR7
Molecular Formula:
C24H42O7P2
Molecular Weight:
504.5336
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$140
- +
10mg
≥98%
1 week
United States
$153
- +
50mg
≥98%
1 week
United States
$464
- +
100mg
98%
1 week
United States
$640
- +
200mg
98%
1 week
United States
$990
- +
Product Description
Catalog Number:
AG000SR7
Chemical Name:
Phosphonic acid, P,P'-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-, P,P,P',P'-tetraethyl ester
CAS Number:
126411-39-0
Molecular Formula:
C24H42O7P2
Molecular Weight:
504.5336
MDL Number:
MFCD00888473
IUPAC Name:
4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol
InChI:
InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3
InChI Key:
YQLJDECYQDRSBI-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC
Properties
Complexity:
660  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.241g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
504.541g/mol
Monoisotopic Mass:
504.241g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
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Human pregnane X receptor is activated by dibenzazepine carbamate-based inhibitors of constitutive androstane receptor. Archives of toxicology 20170601
Acetylated deoxycholic (DCA) and cholic (CA) acids are potent ligands of pregnane X (PXR) receptor. Toxicology letters 20170104
Transactivation Assays to Assess Canine and Rodent Pregnane X Receptor (PXR) and Constitutive Androstane Receptor (CAR) Activation. PloS one 20160101
Analysis of Glycogen Synthase Kinase Inhibitors That Regulate Cytochrome P450 Expression in Primary Human Hepatocytes by Activation of β-Catenin, Aryl Hydrocarbon Receptor and Pregnane X Receptor Signaling. Toxicological sciences : an official journal of the Society of Toxicology 20151101
Improved assays for xenosensor activation based on reverse transfection. Toxicology in vitro : an international journal published in association with BIBRA 20151001
Environmental contaminants activate human and polar bear (Ursus maritimus) pregnane X receptors (PXR, NR1I2) differently. Toxicology and applied pharmacology 20150401
Notoginsenoside R1 attenuates experimental inflammatory bowel disease via pregnane X receptor activation. The Journal of pharmacology and experimental therapeutics 20150201
Allyl isothiocyanate (AITC) inhibits pregnane X receptor (PXR) and constitutive androstane receptor (CAR) activation and protects against acetaminophen- and amiodarone-induced cytotoxicity. Archives of toxicology 20150101
U0126, a mitogen-activated protein kinase kinase 1 and 2 (MEK1 and 2) inhibitor, selectively up-regulates main isoforms of CYP3A subfamily via a pregnane X receptor (PXR) in HepG2 cells. Archives of toxicology 20141201
Affinity purification using recombinant PXR as a tool to characterize environmental ligands. Environmental toxicology 20140201
Polycyclic aromatic hydrocarbons stimulate human CYP3A4 promoter activity via PXR. Toxicology letters 20131024
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Aflatoxins upregulate CYP3A4 mRNA expression in a process that involves the PXR transcription factor. Toxicology letters 20110828
Pregnane X receptor PXR activates the GADD45beta gene, eliciting the p38 MAPK signal and cell migration. The Journal of biological chemistry 20110204
Identification of clinically used drugs that activate pregnane X receptors. Drug metabolism and disposition: the biological fate of chemicals 20110101
Regulation of drug resistance by human pregnane X receptor in breast cancer. Cancer biology & therapy 20090701
Up-regulation of P-glycoprotein by HIV protease inhibitors in a human brain microvessel endothelial cell line. Journal of neuroscience research 20090301
N-1H-benzimidazol-5-ylbenzenesulfonamide derivatives as potent hPXR agonists. Bioorganic & medicinal chemistry 20080401
Azole antimycotics differentially affect rifampicin-induced pregnane X receptor-mediated CYP3A4 gene expression. Drug metabolism and disposition: the biological fate of chemicals 20080201
Human pregnane X receptor and resistance to chemotherapy in prostate cancer. Cancer research 20071101
Discovery of a highly active ligand of human pregnane x receptor: a case study from pharmacophore modeling and virtual screening to 'in vivo' biological activity. Molecular pharmacology 20070901
In silico prediction of pregnane X receptor activators by machine learning approaches. Molecular pharmacology 20070101
Identification of new human pregnane X receptor ligands among pesticides using a stable reporter cell system. Toxicological sciences : an official journal of the Society of Toxicology 20060601
Isolation of mutant cells lacking Insig-1 through selection with SR-12813, an agent that stimulates degradation of 3-hydroxy-3-methylglutaryl-coenzyme A reductase. The Journal of biological chemistry 20041008
Coactivator binding promotes the specific interaction between ligand and the pregnane X receptor. Journal of molecular biology 20030822
The nuclear pregnane X receptor: a key regulator of xenobiotic metabolism. Endocrine reviews 20021001
The PXR ligand-binding domain: how to be picky and promiscuous at the same time. Trends in pharmacological sciences 20010901
The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity. Science (New York, N.Y.) 20010622
Orphan nuclear receptors constitutive androstane receptor and pregnane X receptor share xenobiotic and steroid ligands. The Journal of biological chemistry 20000519
The pregnane X receptor: a promiscuous xenobiotic receptor that has diverged during evolution. Molecular endocrinology (Baltimore, Md.) 20000101
Properties