3-Quinuclidinyl thiochromane-4-carboxylate

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3-Quinuclidinyl thiochromane-4-carboxylate
QTCC structure.png
Identifiers
  • 1-azabicyclo[2.2.2]octan-3-yl 3,4-dihydro-2H-1-benzothiopyran-4-carboxylate
CAS Number
PubChem CID
ChemSpider
CompTox Dashboard (EPA)
Chemical and physical data
Formula C17H21NO2S
Molar mass 303.42 g·mol−1
3D model (JSmol)
  • O=C(OC1CN2CCC1CC2)C1CCSc2ccccc21
  • InChI=1S/C17H21NO2S/c19-17(20-15-11-18-8-5-12(15)6-9-18)14-7-10-21-16-4-2-1-3-13(14)16/h1-4,12,14-15H,5-11H2
  • Key:WKRAGTKCJCJQIR-UHFFFAOYSA-N

3-Quinuclidinyl thiochromane-4-carboxylate is a research compound which is the most potent muscarinic antagonist known. Tests in vitro showed it to have a binding affinity over 2100 times more potent than 3-quinuclidinyl benzilate (BZ) with an apparent association constant (KA) of 2.47 picomolar (pM). [1] [2]

See also

References

  1. ↑ Cohen VI, Gibson RE, Reba RC (October 1987). "Synthesis and structure-activity relationships of new muscarinic antagonists". Journal of Pharmaceutical Sciences. 76 (10): 848–50. Bibcode:1987JPhmS..76..848C. doi:10.1002/jps.2600761020. PMID   3430351.
  2. ↑ Ball JC (2015). "Dual Use Research of Concern: Derivatives of 3-Quinuclidinyl Benzilate". Military Medical Science Letters. 84 (1): 2–41. doi: 10.31482/mmsl.2015.001 .
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