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

CAS: 96346-61-1 Cat. No.: O612505 Peso molecular: 449.62 Número EC: 806-449-6 PubChem CID: 5311505
Disponible para pedir
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
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
O612505-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.142,90US$
25mg
O612505-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.714,90US$
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

Sinónimos
(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] |
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
ANTAGONIST
Mecanismo de acción
Progesterone receptor antagonist
Propiedades del producto
ALogP3.2
Nombres e identificadores
Sonrisas canónicasCC12CC(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
InChIKeyIEXUMDBQLIVNHZ-YOUGDJEHSA-N
INCHI1S/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
Isómeros 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
Peso molecular 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
ClaseSteroids 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular449.600 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
Calculadoras de soluciones
Reseñas

Reseñas de cliente

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