ZINC17988990

ZINC17988990
Identifiers
	IUPAC name (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate;
CAS Number	1111501-38-2;
PubChem CID	27791261;
ChemSpider	22546450;
CompTox Dashboard (EPA)	DTXSID101336560 ;
Chemical and physical data
Formula	C24H19N3O5S
Molar mass	461.49 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3;
	InChI InChI=1S/C24H19N3O5S/c28-20-13-31-18-9-5-4-8-17(18)27(20)11-10-21(29)32-12-19-25-23(30)22-16(14-33-24(22)26-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,26,30); Key:YOFCRYWWKQMPEW-UHFFFAOYSA-N;

ZINC17988990 is a drug which acts as a potent and selective inhibitor for the TRPV5 calcium channel, with an IC₅₀ of 177 nM and high selectivity for TRPV5 over TRPV6 and the other subtypes of TRPV. It is the first selective inhibitor to be developed for TRPV5, and may be useful for modulating calcium reabsorption in the kidneys.^[1]

References

^ Hughes TE, Del Rosario JS, Kapoor A, Yazici AT, Yudin Y, Fluck EC, et al. (October 2019). "Structure-based characterization of novel TRPV5 inhibitors". eLife. 8. doi:10.7554/eLife.49572. PMC 6834369. PMID 31647410.

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[pmid31647410-1] Hughes TE, Del Rosario JS, Kapoor A, Yazici AT, Yudin Y, Fluck EC, et al. (October 2019). "Structure-based characterization of novel TRPV5 inhibitors". eLife. 8. doi:10.7554/eLife.49572. PMC 6834369. PMID 31647410.

[1]

Identifiers

IUPAC name (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CAS Number	1111501-38-2
PubChem CID	27791261
ChemSpider	22546450
CompTox Dashboard (EPA)	DTXSID101336560
Chemical and physical data
Formula	C₂₄H₁₉N₃O₅S
Molar mass	461.49 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3
InChI InChI=1S/C24H19N3O5S/c28-20-13-31-18-9-5-4-8-17(18)27(20)11-10-21(29)32-12-19-25-23(30)22-16(14-33-24(22)26-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,26,30) Key:YOFCRYWWKQMPEW-UHFFFAOYSA-N

ZINC17988990

See also

References