WYE-687

WYE-687
Identifiers
	IUPAC name methyl N-[4-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]carbamate;
CAS Number	1062161-90-3;
PubChem CID	25229450;
ChemSpider	24626255;
ChEMBL	ChEMBL561103;
CompTox Dashboard (EPA)	DTXSID40649396 ;
Chemical and physical data
Formula	C28H32N8O3
Molar mass	528.617 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)CC5=CN=CC=C5)C(=N2)N6CCOCC6;
	InChI InChI=1S/C28H32N8O3/c1-38-28(37)31-22-6-4-21(5-7-22)25-32-26(35-13-15-39-16-14-35)24-18-30-36(27(24)33-25)23-8-11-34(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H,31,37); Key:VDOCQQKGPJENHJ-UHFFFAOYSA-N;

WYE-687 is a drug which acts as an inhibitor of both subtypes of the mechanistic target of rapamycin (mTOR), mTORC1 and mTORC2. It is being researched for potential applications in the treatment of various forms of cancer.^[1]^[2]^[3]

References

^ Yu K, Toral-Barza L, Shi C, Zhang WG, Lucas J, Shor B, et al. (August 2009). "Biochemical, cellular, and in vivo activity of novel ATP-competitive and selective inhibitors of the mammalian target of rapamycin". Cancer Research. 69 (15): 6232–40. doi:10.1158/0008-5472.CAN-09-0299. PMID 19584280.
^ Cheng F, Wang L, Shen Y, Xia J, Chen H, Jiang Y, Lu M (February 2016). "Preclinical evaluation of WYE-687, a mTOR kinase inhibitor, as a potential anti-acute myeloid leukemia agent". Biochemical and Biophysical Research Communications. 470 (2): 324–330. doi:10.1016/j.bbrc.2016.01.054. PMID 26792718.
^ Pan XD, Gu DH, Mao JH, Zhu H, Chen X, Zheng B, Shan Y (2017). "Concurrent inhibition of mTORC1 and mTORC2 by WYE-687 inhibits renal cell carcinoma cell growth in vitro and in vivo". PLOS ONE. 12 (3): e0172555. Bibcode:2017PLoSO..1272555P. doi:10.1371/journal.pone.0172555. PMC 5336203. PMID 28257457.

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Identifiers

IUPAC name methyl N-[4-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]carbamate
CAS Number	1062161-90-3
PubChem CID	25229450
ChemSpider	24626255
ChEMBL	ChEMBL561103
CompTox Dashboard (EPA)	DTXSID40649396
Chemical and physical data
Formula	C₂₈H₃₂N₈O₃
Molar mass	528.617 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)CC5=CN=CC=C5)C(=N2)N6CCOCC6
InChI InChI=1S/C28H32N8O3/c1-38-28(37)31-22-6-4-21(5-7-22)25-32-26(35-13-15-39-16-14-35)24-18-30-36(27(24)33-25)23-8-11-34(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H,31,37) Key:VDOCQQKGPJENHJ-UHFFFAOYSA-N