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Home Sulfos dexamethasone 21-methanesulfonate

dexamethasone 21-methanesulfonate

CAS No.:
2265-22-7
Catalog Number:
AG00BHU7
Molecular Formula:
C23H31FO7S
Molecular Weight:
470.5514
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Product Description
Catalog Number:
AG00BHU7
Chemical Name:
dexamethasone 21-methanesulfonate
CAS Number:
2265-22-7
Molecular Formula:
C23H31FO7S
Molecular Weight:
470.5514
MDL Number:
MFCD00271760
IUPAC Name:
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate
InChI:
InChI=1S/C23H31FO7S/c1-13-9-17-16-6-5-14-10-15(25)7-8-20(14,2)22(16,24)18(26)11-21(17,3)23(13,28)19(27)12-31-32(4,29)30/h7-8,10,13,16-18,26,28H,5-6,9,11-12H2,1-4H3/t13-,16+,17+,18+,20+,21+,22+,23+/m1/s1
InChI Key:
ATNWRUJPJUBMHC-HOGMHMTRSA-N
SMILES:
O=C1C=C[C@]2(C(=C1)CCC1[C@]2(F)[C@@H](O)C[C@]2(C1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)C)C)C)C
UNII:
O9S11FMA79
Properties
Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
470.177g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
470.552g/mol
Monoisotopic Mass:
470.177g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Novel selective glucocorticoid receptor agonists (SEGRAs) with a covalent warhead for long-lasting inhibition. Bioorganic & medicinal chemistry letters 20161015
Transferrin-PEG-PE modified dexamethasone conjugated cationic lipid carrier mediated gene delivery system for tumor-targeted transfection. International journal of nanomedicine 20120101
The hepatotoxic metabolite of acetaminophen directly activates the Keap1-Nrf2 cell defense system. Hepatology (Baltimore, Md.) 20081001
Effects of acetylation, polymerase phosphorylation, and DNA unwinding in glucocorticoid receptor transactivation. The Journal of steroid biochemistry and molecular biology 20060701
Keap1, the sensor for electrophiles and oxidants that regulates the phase 2 response, is a zinc metalloprotein. Biochemistry 20050510
Role of activation function domain-1, DNA binding, and coactivator GRIP1 in the expression of partial agonist activity of glucocorticoid receptor-antagonist complexes. Biochemistry 20050308
Modulation of transcriptional sensitivity of mineralocorticoid and estrogen receptors. The Journal of steroid biochemistry and molecular biology 20040801
Interleukin-6 and glucocorticoids synergistically induce human immunodeficiency virus type-1 expression in chronically infected U1 cells by a long terminal repeat independent post-transcriptional mechanism. Molecular medicine (Cambridge, Mass.) 20011001
New antiprogestins with partial agonist activity: potential selective progesterone receptor modulators (SPRMs) and probes for receptor- and coregulator-induced changes in progesterone receptor induction properties. Molecular endocrinology (Baltimore, Md.) 20010201
Role of cysteines 640, 656, and 661 in steroid binding to rat glucocorticoid receptors. The Journal of biological chemistry 19920605
Localization of the vicinal dithiols involved in steroid binding to the rat glucocorticoid receptor. Endocrinology 19901101
Properties