P0543

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

≥97%

• Synonym(s): Pregnenolone-16α-carbonitrile
• Empirical Formula (Hill Notation): C₂₂H₃₁NO₂
• CAS Number: 1434-54-4
• Molecular Weight: 341.49
• MDL number: MFCD00272045
• UNSPSC Code: 51111800
• PubChem Substance ID: 24898113
• NACRES: NA.77

Properties

• biological source: synthetic (organic)
• 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

Description

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.

Safety Information

• 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