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Oxprenoate (potassium)

CAT: 0804-HY-107631Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107631Size:1 mg
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Description
Oxprenoate potassium is a potent mineralocorticoid (MR) antagonist. Oxprenoate potassium accentuates DEX (dexamethasone) -induced apoptosis[1].
CAS Number
76676-34-1
Product Name Alternative
RU 28318
UNSPSC
12352211
Target
Mineralocorticoid Receptor
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/oxprenoate-potassium.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
CCC[C@H](CC1=CC2=O)[C@@]([C@@](CC3)([H])[C@]1(CC2)C)([H])[C@@](CC[C@](O)4CCC(O[K])=O)([H])[C@@]43C
Molecular Formula
C25H37KO4
Molecular Weight
440.66
References & Citations
[1]Crochemore C, et al. Direct targeting of hippocampal neurons for apoptosis by glucocorticoids is reversible by mineralocorticoid receptor activation. Mol Psychiatry. 2005 Aug;10 (8) :790-8.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Oxprenoate Potassium
CAS Number76676-34-1
PubChem CID23677972
IUPAC Namepotassium 3-[(7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
Molecular FormulaC25H37KO4
Molecular Weight440.7
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity733
SMILES
CCC[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(CCC(=O)[O-])O)C.[K+]
InChI
InChI=1S/C25H38O4.K/c1-4-5-16-14-17-15-18(26)6-10-23(17,2)19-7-11-24(3)20(22(16)19)8-12-25(24,29)13-9-21(27)28;/h15-16,19-20,22,29H,4-14H2,1-3H3,(H,27,28);/q;+1/p-1/t16-,19+,20+,22-,23+,24+,25-;/m1./s1
InChIKey
HXJITUGMCJCKCE-UYOQDFFISA-M
Chemical Structure
2D Structure
2D structure of Oxprenoate Potassium
CAS: 76676-34-1
CID: 23677972
Formula: C25H37KO4
MW: 440.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass440.23289114
Monoisotopic Mass440.23289114
Topological Polar Surface Area77.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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