Ulipristal - 10mM in DMSO , Progesterone receptor modulator, CAS No.159811-51-5, Progesterone receptor modulator

CAS: 159811-51-5 Cat. No.: U580553 분자식: C₂₈H₃₅NO₃ 분자량: 433.58 EC 번호: 815-032-8 PubChem CID: 13559281

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

Specifications

동의어

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

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

MODULATOR

작동 메커니즘

Progesterone receptor modulator

제품 특성

• ALogP: 2.9

이름과 식별자

• 정식 스마일: 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
• 이성체 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
• 분자량: 433.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO 83 mg/mL Water <1 mg/mL Ethanol 14 mg/mL
• 분자량: 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

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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.