Ulipristal - ≥98% , Progesterone receptor modulator, CAS No.159811-51-5, Progesterone receptor modulator

CAS: 159811-51-5 Cat. No.: U129252 Summenformel: C₂₈H₃₅NO₃ Molekulargewicht: 433.58 EG-Nummer: 815-032-8 PubChem CID: 13559281

GRADE & PURITY ≥98%

Synonyms

ULIPRISTAL [WHO-DD] | 6J5J15Q2X8 | ULIPRISTAL [EMA EPAR] | SCHEMBL545159 | DTXSID501025842 | 19-Norpregna-4,9-diene-3,20-dione, 11-[4-(dimethylamino)phenyl]-17-hydroxy-, (11beta)- | s3081 | (1R,3aS,3bS,10R,11aS)-1-acetyl-10-[4-(dimethylamino)phenyl]-1-hyd

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Ulipristal is a selective SPRM for emergency contraception after an unprotected intercourse or contraceptive failure.
A selective progesterone receptor modulator.

Specifications

Synonyme

ULIPRISTAL [WHO-DD] | 6J5J15Q2X8 | ULIPRISTAL [EMA EPAR] | SCHEMBL545159 | DTXSID501025842 | 19-Norpregna-4,9-diene-3,20-dione, 11-[4-(dimethylamino)phenyl]-17-hydroxy-, (11beta)- | s3081 | (1R,3aS,3bS,10R,11aS)-1-acetyl-10-[4-(dimethylamino)phenyl]-1-hyd

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

MODULATOR

Mechanismus der Wirkung

Progesterone receptor modulator

Reinheit

≥98%

Produkteigenschaften

• ALogP: 2.9

Namen und Kennungen

• Pubchem Sid: 504767438
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767438
• Kanonisches Lächeln: CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
• IUPAC Name: (8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• InChIKey: HKDLNTKNLJPAIY-WKWWZUSTSA-N
• INCHI: 1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1
• Isomere SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
• PubChem CID: 13559281
• Molekulargewicht: 433.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Steroids and steroid derivatives
      • Subclass Oxosteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Steroids and steroid derivatives
• Subclass: Oxosteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 20-oxosteroids
• Alternative Parents: 3-oxosteroids 17-hydroxysteroids Dialkylarylamines Aniline and substituted anilines Cyclohexenones Tertiary alcohols Alpha-hydroxy ketones Cyclic alcohols and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 20-oxosteroid - 3-oxosteroid - Hydroxysteroid - 17-hydroxysteroid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Ketone - Tertiary amine - Cyclic ketone - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO 83 mg/mL Water <1 mg/mL Ethanol 14 mg/mL
• Molekulargewicht: 433.600 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 433.262 Da
• Monoisotopic Mass: 433.262 Da
• Topological Polar Surface Area: 57.600 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 877.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 159811-51-5, the molecular formula is C28H35NO3, and the molecular weight is 433.58 g/mol. InChIKey HKDLNTKNLJPAIY-WKWWZUSTSA-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.