Pregnenolone 16α-carbonitrile

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

Pregnenolone 16α-carbonitrile
Names
Preferred IUPAC name
(1S,2R,3as,3bS,7S,9aR,9bS,11aS)-1-Acetyl-7-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
UNII
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

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.


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