onapristone - Moligand™ , Progesterone receptor antagonist, CAS No.96346-61-1, Progesterone receptor antagonist

CAS: 96346-61-1 Cat. No.: O612505 Formule: C29H39NO3 Poids moléculaire: 449.62 Numéro CE: 806-449-6 PubChem CID: 5311505
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
(8S,11R,13R,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one | EX-A8027 | HY-106389 | NSC792824 | NSC-792824 | SB57848 | ZK 299 | Onapristone [INN] |
Storage
Room temperature
★
Size
Allemagne (EU)
USA*
Price
Qty
5mg
O612505-5mg
Sur commande · 8–12 semaines
991,74€
25mg
O612505-25mg
Sur commande · 8–12 semaines
1 488,09€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
(8S,11R,13R,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one | EX-A8027 | HY-106389 | NSC792824 | NSC-792824 | SB57848 | ZK 299 | Onapristone [INN] |
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
ANTAGONIST
Mécanisme d'action
Progesterone receptor antagonist
Propriétés du produit
ALogP
3.2
Noms et identifiants
Sourires canoniques
CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CCCO)O)C5=CC=C(C=C5)N(C)C
IUPAC Name
(8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChIKey
IEXUMDBQLIVNHZ-YOUGDJEHSA-N
INCHI
1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1
Isomères SMILES
C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(CCCO)O)C5=CC=C(C=C5)N(C)C
PubChem CID
5311505
Poids moléculaire
449.62

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClasseSteroids and steroid derivatives
SubclassOxosteroids
Intermediate Tree Nodes Not available
Direct ParentOxosteroids
Alternative Parents 3-oxosteroids  17-hydroxysteroids  Dialkylarylamines  Aniline and substituted anilines  Cyclohexenones  Tertiary alcohols  Cyclic alcohols and derivatives  Primary alcohols  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Tertiary alcohol - Ketone - Tertiary amine - Cyclic ketone - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
NR3C1 Tclin Glucocorticoid receptor (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PGR Tclin Progesterone receptor (14 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR3C2 Tclin Mineralocorticoid receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C2 Tclin Mineralocorticoid receptor (2134 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire449.600 g/mol
XLogP33.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass449.293 Da
Monoisotopic Mass449.293 Da
Topological Polar Surface Area60.800 Ų
Heavy Atom Count33
Formal Charge0
Complexity836.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 96346-61-1, the molecular formula is C29H39NO3, and the molecular weight is 449.62 g/mol. InChIKey IEXUMDBQLIVNHZ-YOUGDJEHSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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