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Chemical structure of Torin 1

GC10131

Torin 1

Also known as 1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

Torin 1 is a potent ATP-competitive mammalian target of rapamycin (mTOR) inhibitor with an IC50 value of 3nM

ChemicalCAS1222998-36-8MW607.64FormulaC35H28F3N5O2
CAS number
1222998-36-8
Molecular weight
607.64
Formula
C35H28F3N5O2
Solubility
＜1·22mg/mL in DMSO, ≥ 2·42 mg/mL in EtOH with ultrasonic and warming
InChIKey
AKCRNFFTGXBONI-UHFFFAOYSA-N
Catalogue number
GC10131
Brand
GLPBIO
Computed properties PubChem CID 49836027 · XLogP 6 · TPSA 69.6 Ų · H-bond donors 0
XLogP
6
TPSA
69.6 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
45

SMILES CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F

Computed descriptors from PubChem (CID 49836027), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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