ChemicalBook--->CAS DataBase List--->1434-54-4

1434-54-4

1434-54-4 Structure

1434-54-4 Structure
IdentificationBack Directory
[Name]

5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE
[CAS]

1434-54-4
[Synonyms]

pcn
sc4674
U-14975
16-alpha-cyanopregnenolone
pregnenolone-16α-carbonitrile
PREGNENOLONE-16ALPHA-CARBONITRILE
16α-Cyano-3β-hydroxypregn-5-en-20-one
5-pregnen-3B-ol-20-one-16A-carbonitrile
5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE
3beta-hydroxy-20-oxo-pregn-5-ene-16-alpha-carbonitril
16-alpha)-3-hydroxy-20-oxopregn-5-ene-16-carbonitrile(3-bet
3-hydroxy-20-oxo-,(3-beta,16-alpha)-pregn-5-ene-16-carbonitril
(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
(3S,8S,9S,10R,13S,14S,16R,17S)-17-ethanoyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
[Molecular Formula]

C22H31NO2
[MDL Number]

MFCD00079212
[MOL File]

1434-54-4.mol
[Molecular Weight]

341.49
Chemical PropertiesBack Directory
[Melting point ]

225-228 °C(Solv: methanol (67-56-1); benzene (71-43-2))
[Boiling point ]

508.5±50.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[Fp ]

93 °C
[storage temp. ]

2-8°C
[solubility ]

Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
[form ]

White to off-white solid.
[pka]

14.95±0.70(Predicted)
[color ]

White to off-white
[EPA Substance Registry System]

Pregn-5-ene-16-carbonitrile, 3-hydroxy-20-oxo-, (3.beta.,16.alpha.)- (1434-54-4)
Safety DataBack Directory
[WGK Germany ]

3
[RTECS ]

TU4536500
Hazard InformationBack Directory
[Uses]

Pregnenolone Carbonitrile is a glucocorticoid receptor antagonist that induces the expression of the CYP3A family of steroid hydroxylases and modulates sterol and bile acid biosynthesis in vivo. Pregnenolone Carbonitrile is an an activator of rat pregnane X receptor (PXR).
[Definition]

ChEBI: Pregnenolone 16alpha-carbonitrile is an aliphatic nitrile. It is functionally related to a pregnenolone.
[Biochem/physiol Actions]

Pregnenolone-16a-carbonitrile (PCN) is a glucocorticoid receptor antagonist and a PXR (pregnane X receptor) activator.
Spectrum DetailBack Directory
[Spectrum Detail]

5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE(1434-54-4)MS
5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE(1434-54-4)IR1
5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE(1434-54-4)IR2
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