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MTOR inhibitor-11

CAT: 0804-HY-154957Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-154957Size:1 Each
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Description
MTOR inhibitor-11 (Compound 9) is a brain-penetrant mTOR inhibitor (IC50: 21 nM for pS6) . mTOR inhibitor-11 also inhibits pCHK1 and PDE4D with IC50s of 17.2 and 17.0 μM. mTOR inhibitor-11 can be used for research of CNS disease[1].
CAS Number
3033409-32-1
UNSPSC
12352005
Target
MTOR
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mtor-inhibitor-11.html
Solubility
10 mM in DMSO
Smiles
C[C@@H]1COCCN1C2=C3N=C(C4=NC=CC=C4)NC3=NC(N5[C@@H](C)COCC5)=C2
Molecular Formula
C21H26N6O2
Molecular Weight
394.47
References & Citations
[1]Bonazzi S, et al. Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes. J Med Chem. 2023 Jul 13;66 (13) :9095-9119.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

mTOR inhibitor-11
CAS Number3033409-32-1
PubChem CID168429814
IUPAC Name(3R)-3-methyl-4-[5-[(3S)-3-methylmorpholin-4-yl]-2-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
Molecular FormulaC21H26N6O2
Molecular Weight394.5
XLogP2.1
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity553
SMILES
C[C@@H]1COCCN1C2=CC(=NC3=C2NC(=N3)C4=CC=CC=N4)N5CCOC[C@@H]5C
InChI
InChI=1S/C21H26N6O2/c1-14-12-28-9-7-26(14)17-11-18(27-8-10-29-13-15(27)2)23-21-19(17)24-20(25-21)16-5-3-4-6-22-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1
InChIKey
WJWKTGFLLWKVGW-CABCVRRESA-N
Chemical Structure
2D Structure
2D structure of mTOR inhibitor-11
CAS: 3033409-32-1
CID: 168429814
Formula: C21H26N6O2
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass394.21172409
Monoisotopic Mass394.21172409
Topological Polar Surface Area79.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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