SET2

SET2
Identifiers
	IUPAC name N-(furan-2-ylmethyl)-3-({4-[methyl(propyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)propanamide;
CAS Number	2313525-20-9;
PubChem CID	155541857;
ChemSpider	88296672;
ChEMBL	ChEMBL4519204;
CompTox Dashboard (EPA)	DTXSID101336558 ;
Chemical and physical data
Formula	C17H21F3N4O2S
Molar mass	402.44 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C(CCSc1nc(cc(n1)N(C)CCC)C(F)(F)F)NCc2ccco2;
	InChI InChI=1S/C17H21F3N4O2S/c1-3-7-24(2)14-10-13(17(18,19)20)22-16(23-14)27-9-6-15(25)21-11-12-5-4-8-26-12/h4-5,8,10H,3,6-7,9,11H2,1-2H3,(H,21,25); Key:LZHSWRWIMQRTOP-UHFFFAOYSA-N;

SET2 is a drug which acts as a selective antagonist for the TRPV2 receptor. It is moderately potent with an IC₅₀ of 460nM, but is highly selective for TRPV2 over the other subtypes of TRPV, and is the first such compound to be developed. A role has been suggested for TRPV2 in tumor metastasis, making this a target of interest in the treatment of cancer.^[1]

References

^ Chai H, Cheng X, Zhou B, Zhao L, Lin X, Huang D, Lu W, Lv H, Tang F, Zhang Q, Huang W, Li Y, Yang H (February 2019). "Structure-Based Discovery of a Subtype-Selective Inhibitor Targeting a Transient Receptor Potential Vanilloid Channel". Journal of Medicinal Chemistry. 62 (3): 1373–1384. doi:10.1021/acs.jmedchem.8b01496. PMID 30620187. S2CID 58543255.

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[Chai_2019-1] Chai H, Cheng X, Zhou B, Zhao L, Lin X, Huang D, Lu W, Lv H, Tang F, Zhang Q, Huang W, Li Y, Yang H (February 2019). "Structure-Based Discovery of a Subtype-Selective Inhibitor Targeting a Transient Receptor Potential Vanilloid Channel". Journal of Medicinal Chemistry. 62 (3): 1373–1384. doi:10.1021/acs.jmedchem.8b01496. PMID 30620187. S2CID 58543255.

[1]

Identifiers

IUPAC name N-(furan-2-ylmethyl)-3-({4-[methyl(propyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)propanamide
CAS Number	2313525-20-9
PubChem CID	155541857
ChemSpider	88296672
ChEMBL	ChEMBL4519204
CompTox Dashboard (EPA)	DTXSID101336558
Chemical and physical data
Formula	C₁₇H₂₁F₃N₄O₂S
Molar mass	402.44 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C(CCSc1nc(cc(n1)N(C)CCC)C(F)(F)F)NCc2ccco2
InChI InChI=1S/C17H21F3N4O2S/c1-3-7-24(2)14-10-13(17(18,19)20)22-16(23-14)27-9-6-15(25)21-11-12-5-4-8-26-12/h4-5,8,10H,3,6-7,9,11H2,1-2H3,(H,21,25) Key:LZHSWRWIMQRTOP-UHFFFAOYSA-N

SET2

See also

References