Dienogest - Moligand™, ≥99% , CAS No.65928-58-7

CAS: 65928-58-7 Cat. No.: D129393 분자식: C₂₀H₂₅NO₂ 분자량: 311.42 EC 번호: 639-448-2 PubChem CID: 68861

등급 & 순도 Moligand™, ≥99%

Synonyms

STS557|Dienogest for system suitability|17-alpha-Cyanomethyl-17-beta-hydroxy-estra-4,9(10)-dien-3-one|17alpha-Cyanomethyl-17beta-hydroxyestra-4,9(10)-dien-3-one|DIENOGEST [WHO-DD]|MJR-35|2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile|[(17beta)-17-hydroxy-3-oxoestra-4,9-dien-17-yl]acetonitrile|STS 557|Visanne|17-Hydroxy-3-oxo-19-nor-17alpha-pregna-4,9-diene-21-nitrile|17alpha-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile|DIENOGEST [MART.]|2-[(1R,3aS,3bS,11aS)-1-hydroxy-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]acetonitrile|DIENOGEST [ORANGE BOOK]|DIENOGEST [MI]|DIENOGEST [USAN]|17-cyanomethyl-17-hydroxy-estra-4,9-dien-3-one|17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile|BAY 86-5258|Dienogest (JAN/USAN/INN)|19-NORPREGNA-4,9-DIENE-21-NITRILE, 17-HYDROXY-3-OXO-, (17.ALPHA.)-|2-((8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile|DIENOGEST [VANDF]|STS-557|Dienogest [INN]|Dienogest [USAN:INN:BAN]|M-18575|(17-hydroxy-3-oxoestra-4,9-dien-17beta-yl)acetonitrile|Endometrion (TN)|Dienogestrel|M 18575|Dienogest|DIENOGEST [JAN]|Dienogest; Dienogestril; Dinagest; STS 557; (17alpha)-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile; 17alpha-Cyanomethyl-17beta-hydroxyestra-4,9-dien-3-one|Dienogestum [Latin]|Dinagest|DIENOGEST [EP MONOGRAPH]|Dienogestril|19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17-alpha)-|19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17alpha)-|Natazia|Dienogestum|BAY86-5258|ZK 37659

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Dienogest is an orally active synthetic progesterone, used for contraception and the treatment of endometriosis.
A progesterone 19-nortestosterone derivative

사양

동의어

STS557 | Dienogest for system suitability | 17-alpha-Cyanomethyl-17-beta-hydroxy-estra-4,9(10)-dien-3-one | 17alpha-Cyanomethyl-17beta-hydroxyestra-4,9(10)-dien-3-one | DIENOGEST [WHO-DD] | MJR-35 | 2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile | [(17beta)-17-h Show more

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

A derivative of 19-Nortestosterone.Steroidal progesterone. Non-ethinylated progestin structurally related to testosterone. Anti-androgenic and antiproliferative effects in vitro .

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥99%

제품 특성

ALogP

1.8

이름과 식별자

Pubchem Sid

504754310

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754310

정식 스마일

CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(CC#N)O

IUPAC Name

2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile

InChIKey

AZFLJNIPTRTECV-FUMNGEBKSA-N

INCHI

1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1

이성체 SMILES

C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O

대체 CAS

65928-58-7

PubChem CID

68861

MeSH 용어

17 alpha-cyanomethyl-17 beta-hydroxy-13 beta-methylgona-4,9-dien-3-one;17 alpha-cyanomethyl-17 beta-hydroxyestra-4,9(10)-diene-3-one;19-norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17alpha)-;dienogest;STS 557;STS-557

분자량

311.42

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: Oxosteroids
• Alternative Parents: 3-oxosteroids 17-hydroxysteroids Cyclohexenones Tertiary alcohols Cyclic alcohols and derivatives Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 3-oxosteroid - Hydroxysteroid - 17-hydroxysteroid - Oxosteroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Ketone - Cyclic ketone - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
• 설명: This 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: aliphatic nitrile - 3-oxo Delta(4)-steroid - 17beta-hydroxy steroid - steroid hormone

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

관련 대상(비인간)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Pyridine DMSO 62 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• 감도: Heat Sensitive
• 특정 회전[α]: -307° (C=1,CHCl3)
• 녹는점(°C): 215 °C
• 분자량: 311.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 311.189 Da
• Monoisotopic Mass: 311.189 Da
• Topological Polar Surface Area: 61.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 679.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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