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Key Documents

P0543

Sigma-Aldrich

5-Pregnen-3β-ol-20-one-16α-carbonitrile

≥97%

Synonym(s):

Pregnenolone-16α-carbonitrile

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About This Item

Empirical Formula (Hill Notation):
C22H31NO2
CAS Number:
Molecular Weight:
341.49
MDL number:
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77

biological source

synthetic (organic)

Quality Level

sterility

non-sterile

Assay

≥97%

form

powder, crystals or chunks

technique(s)

cell culture | mammalian: suitable

solubility

chloroform: methanol (1:1): 50 mg/mL, clear, colorless to faintly yellow (with heat)

shipped in

ambient

storage temp.

2-8°C

SMILES string

C[C@@]12[C@](C[C@@H](C#N)[C@@H]2C(C)=O)([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC1

InChI

1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1

InChI key

VSBHRRMYCDQLJF-ZDNYCOCVSA-N

Related Categories

Application

5-Pregnen-3β-ol-20-one-16α-carbonitrile has been used:
  • in the induction of cytochrome P450
  • as pregnane X receptor (PXR) activator in human liver cell lines.

Biochem/physiol Actions

Pregnenolone-16a-carbonitrile (PCN) is a glucocorticoid receptor antagonist and a PXR (pregnane X receptor) activator.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

>199.9 °F - closed cup

Flash Point(C)

> 93.3 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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