Drofenine

Drofenine
Identifiers
	IUPAC name 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate;
CAS Number	1679-76-1;
PubChem CID	3166;
ChemSpider	3054;
UNII	4QWV355536;
ChEBI	CHEBI:93825;
ChEMBL	ChEMBL442444;
CompTox Dashboard (EPA)	DTXSID0048472 ;
ECHA InfoCard	100.114.553
Chemical and physical data
Formula	C20H31NO2
Molar mass	317.473 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2;
	InChI InChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3; Key:AGJBLWCLQCKRJP-UHFFFAOYSA-N;

Drofenine is an antimuscarinic antispasmodic drug used for relaxing smooth muscle, thereby treating conditions, such as: dysmenorrhea, and pain in the gastrointestinal tract, biliary passages, and urogenital tract. Drofenine is assumed to work by increasing the levels of the protein TRPV3.^[1]^[2]^[3]

References

^ Kunysz EL, Michel AD, Whiting RL (March 1988). "Functional and direct binding studies using subtype selective muscarinic receptor antagonists". British Journal of Pharmacology. 93 (3): 491–500. doi:10.1111/j.1476-5381.1988.tb10303.x. PMC 1853838. PMID 2897216.
^ Bodur E, Cokuğraş AN, Tezcan EF (February 2001). "Inhibition effects of benactyzine and drofenine on human serum butyrylcholinesterase". Archives of Biochemistry and Biophysics. 386 (1): 25–9. doi:10.1006/abbi.2000.2188. PMID 11360997.
^ Deering-Rice CE, Mitchell VK, Romero EG, Abdel Aziz MH, Ryskamp DA, Križaj D, et al. (October 2014). "Drofenine: A 2-APB Analogue with Greater Selectivity for Human TRPV3". Pharmacology Research & Perspectives. 2 (5): e00062. doi:10.1002/prp2.62. PMC 4115637. PMID 25089200.

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[1] Kunysz EL, Michel AD, Whiting RL (March 1988). "Functional and direct binding studies using subtype selective muscarinic receptor antagonists". British Journal of Pharmacology. 93 (3): 491–500. doi:10.1111/j.1476-5381.1988.tb10303.x. PMC 1853838. PMID 2897216.

[2] Bodur E, Cokuğraş AN, Tezcan EF (February 2001). "Inhibition effects of benactyzine and drofenine on human serum butyrylcholinesterase". Archives of Biochemistry and Biophysics. 386 (1): 25–9. doi:10.1006/abbi.2000.2188. PMID 11360997.

[3] Deering-Rice CE, Mitchell VK, Romero EG, Abdel Aziz MH, Ryskamp DA, Križaj D, et al. (October 2014). "Drofenine: A 2-APB Analogue with Greater Selectivity for Human TRPV3". Pharmacology Research & Perspectives. 2 (5): e00062. doi:10.1002/prp2.62. PMC 4115637. PMID 25089200.

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Identifiers

IUPAC name 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate
CAS Number	1679-76-1
PubChem CID	3166
ChemSpider	3054
UNII	4QWV355536
ChEBI	CHEBI:93825
ChEMBL	ChEMBL442444
CompTox Dashboard (EPA)	DTXSID0048472
ECHA InfoCard	100.114.553
Chemical and physical data
Formula	C₂₀H₃₁NO₂
Molar mass	317.473 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2
InChI InChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3 Key:AGJBLWCLQCKRJP-UHFFFAOYSA-N