Basic information Safety Supplier Related

5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE

Basic information Safety Supplier Related

5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE Basic information

Product Name:
5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE
Synonyms:
  • 5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE
  • 5-pregnen-3B-ol-20-one-16A-carbonitrile
  • (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
  • pregnenolone-16α-carbonitrile
  • 16α-Cyano-3β-hydroxypregn-5-en-20-one
  • U-14975
  • 16-alpha)-3-hydroxy-20-oxopregn-5-ene-16-carbonitrile(3-bet
CAS:
1434-54-4
MF:
C22H31NO2
MW:
341.49
Mol File:
1434-54-4.mol
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5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE Chemical Properties

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)
Flash point:
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
biological source
synthetic (organic)
EPA Substance Registry System
Pregn-5-ene-16-carbonitrile, 3-hydroxy-20-oxo-, (3.beta.,16.alpha.)- (1434-54-4)
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Safety Information

WGK Germany 
3
RTECS 
TU4536500

MSDS

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5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE Usage And Synthesis

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.

in vivo

Pregnenolone 16α-carbonitrile (40 mg/kg/day; i.p.; for two days) induces the expression of Cyp3a11 and Cyp2b10 at the mRNA, protein, and enzymatic levels in WT mice[1].
? Pregnenolone 16α-carbonitrile (100 mg/kg; ip; single dose) induces the expression of CYP3A mRNA in adult female Sprague-Dawley rats weighing 150-200 g[2].
? Pregnenolone 16α-carbonitrile (35 mg/kg; gavage; once daily for three days) increase in Pgp expression in male Sprague-Dawley rats, aged approximately 100 days and weighing 250-400 g[3].

Animal Model:WT and Pxr-/- mice[1]
Dosage:40 mg/kg
Administration:IP; per day for two days
Result:Induced the expression of Cyp3a11 and Cyp2b10 at the mRNA, protein, and enzymatic levels in WT mice.
Had little effect on the expression of Cyp3a11 in Pxr-/- mice

IC 50

CYP2; CYP3

5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILESupplier

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