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Mifepristone-d6

CAT: 0804-HY-13683S2-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-13683S2-01Size:100 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mifepristone-d6 is deuterated labeled Mifepristone. Mifepristone (RU486) is a progesterone receptor (PR) and glucocorticoid receptor (GR) antagonist with IC50s of 0.2 nM and 2.6 nM in in vitro assay[1].
CAS Number
1228097-18-4
Product Name Alternative
RU486-d6; RU 38486-d6
UNSPSC
12352005
Target
Autophagy; Endogenous Metabolite; Glucocorticoid Receptor; Isotope-Labeled Compounds; NO Synthase; Progesterone Receptor
Type
Isotope-Labeled Compounds
Related Pathways
Autophagy; Immunology/Inflammation; Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Endocrinology
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@@](C#CC)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CCC4=C3[C@@H](C5=CC=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])C=C5)C2)=O
Molecular Formula
C29H29D6NO2
Molecular Weight
435.63
References & Citations
[1]Jurado R, et al. NSC 119875 cytotoxicity is increased by mifepristone in cervical carcinoma: an in vitro and in vivo study. Oncol Rep. 2009 Nov;22 (5) :1237-45.|[2]Sharrett-Field L, et al. Mifepristone Pretreatment Reduces Ethanol Withdrawal Severity In Vivo. Alcohol Clin Exp Res. 2013 Aug;37 (8) :1417-23.|[3]Jiang W, et al. New progesterone receptor antagonists: phosphorus-containing 11beta-aryl-substituted steroids. Bioorg Med Chem. 2006 Oct 1;14 (19) :6726-32.|[4]Yuehua You, et al. Progesterone Promotes Endothelial Nitric Oxide Synthase Expression Through Enhancing Nuclear Progesterone receptor-SP1 Formation. Am J Physiol Heart Circ Physiol. 2020 Jul 3.|[5]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Mifepristone-d3
CAS Number1228097-18-4
PubChem CID46782374
IUPAC Name(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-[4-[methyl(trideuteriomethyl)amino]phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC29H35NO2
Molecular Weight432.6
XLogP3.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity921
SMILES
[2H]C([2H])([2H])N(C)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CC)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C
InChI
InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1/i3D3
InChIKey
VKHAHZOOUSRJNA-PBWRPEOTSA-N
Chemical Structure
2D Structure
2D structure of Mifepristone-d3
CAS: 1228097-18-4
CID: 46782374
Formula: C29H35NO2
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data

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CS-O-02647Mifepristone-d6
CS-O-02648Hydroxy Mifepristone-d6
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