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Chemical structure of WYE-687 dihydrochloride

GC38473

WYE-687 dihydrochloride

Also known as methyl N-[4-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;dihydrochloride

WYE-687 dihydrochloride is an ATP-competitive mTOR inhibitor with an IC50 of 7 nM· WYE-687 dihydrochloride concurrently inhibits activation of mTORC1 and mTORC2· WYE-687 also inhibits PI3Kα and PI3Kγ with IC50s of 81 nM and 3·11 μM, respectively

ChemicalCAS1702364-87-1MW601.53FormulaC28H34Cl2N8O3
CAS number
1702364-87-1
Molecular weight
601.53
Formula
C28H34Cl2N8O3
Solubility
Soluble in DMSO
InChIKey
ZQJPHAXLAKKXIX-UHFFFAOYSA-N
Catalogue number
GC38473
Brand
GLPBIO
Computed properties PubChem CID 90488926 · TPSA 111 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
111 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
41

SMILES COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)CC5=CN=CC=C5)C(=N2)N6CCOCC6.Cl.Cl

Computed descriptors from PubChem (CID 90488926), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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