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Chemical structure of MTI-31

GC64304

MTI-31

Also known as N-methyl-3-[2-[(3S)-3-methylmorpholin-4-yl]-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide

MTI-31 is a potent and highly selective inhibitor of mTORC1 and mTORC2 (Kd: 0·20±0·04 nmol/L), with IC50 value of 39±1nmol/L

ChemicalCAS1567915-38-1MW474.55FormulaC26H30N6O3
CAS number
1567915-38-1
Molecular weight
474.55
Formula
C26H30N6O3
Solubility
DMSO : 8·33 mg/mL (17·55 mM; ultrasonic and warming and heat to 60°C)
InChIKey
LVPBYQVQBZLDAU-DZIBYMRMSA-N
Catalogue number
GC64304
Brand
GLPBIO
Computed properties PubChem CID 118591386 · XLogP 3 · TPSA 92.7 Ų · H-bond donors 1
XLogP
3
TPSA
92.7 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
35

SMILES C[C@H]1COCCN1C2=NC3=C(C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)C(=N2)N5C6CCC5COC6

Computed descriptors from PubChem (CID 118591386), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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