Pregnenolone 16α-carbonitrile

Pregnenolone 16α-carbonitrile (PCN) is a synthetic, steroidal antiglucocorticoid and pregnane X receptor agonist.[1][2][3]

Pregnenolone 16α-carbonitrile

Names
IUPAC name (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
Identifiers
CAS Number	1434-54-4^Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL1400945^N
ChemSpider	14308
IUPHAR/BPS	2762
PubChem CID	15032
CompTox Dashboard (EPA)	DTXSID7037262
InChI 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 Key: VSBHRRMYCDQLJF-ZDNYCOCVSA-N InChI=1/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 Key: VSBHRRMYCDQLJF-ZDNYCOCVBP
SMILES CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N
Properties
Chemical formula	C22H31NO2
Molar mass	341.49 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is ^YN ?)
Infobox references

See also

• Pregnenolone
• Mifepristone
• Ketoconazole
• Dexamethasone

References

1. J.I. Mason (2 September 2003). Genetics of Steroid Biosynthesis and Function. CRC Press. pp. 449–. ISBN 978-0-203-30149-4.
2. Giacinto Bagetta; Marco Cosentino; Marie Tiziana Corasaniti; Shinobu Sakurada (19 April 2016). Herbal Medicines: Development and Validation of Plant-derived Medicines for Human Health. CRC Press. pp. 250–. ISBN 978-1-4398-3769-6.
3. Larisa Y. Poluektova; J. Victor Garcia-Martinez; Yoshio Koyanagi; Markus G. Manz; Andrew M. Tager (18 February 2015). Humanized Mice for HIV Research. Springer. pp. 350–. ISBN 978-1-4939-1655-9.