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

CAS: 159811-51-5 Cat. No.: U129252 分子式: C₂₈H₃₅NO₃ 分子量: 433.58 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

MODULATOR

作用メカニズム

Progesterone receptor modulator

純度

≥98%

製品の性質

• ALogP: 2.9

名前と識別子

• パブケム・シド: 504767438
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504767438
• カノニカル・スマイル: 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
• 異性体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
• 分子量: 433.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO 83 mg/mL Water <1 mg/mL Ethanol 14 mg/mL
• 分子量: 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

よくある質問

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.