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MTOR inhibitor-2

CAT: 0804-HY-111370-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111370-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MTOR inhibitor-2 is a highlt potent, selective and oral mTOR inhibitor with an IC50 of 7 nM. mTOR inhibitor-2 inhibits cellular phosphorylation of mTORC1 (pS6 and p4E-BP1) and mTORC2 (pAKT (S473) ) substrates[1].
CAS Number
2219323-96-1
UNSPSC
12352005
Target
MTOR
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mTOR_Inhibitor_1.html
Solubility
10 mM in DMSO
Smiles
O=C(N1C2CCN(CC#N)CC2)C=NC3=C1C4=CC(C5=CN=C(N)C=C5)=CC=C4N=C3
Molecular Formula
C23H21N7O
Molecular Weight
411.46
References & Citations
[1]Guo Q, et al. Highly Selective, Potent, and Oral mTOR Inhibitor for Treatment of Cancer as Autophagy Inducer. J Med Chem. 2018 Feb 8;61 (3) :881-904.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MTOR

Chemical Information

mTOR inhibitor-2
CAS Number2219323-96-1
PubChem CID137628643
IUPAC Name2-[4-[9-(6-amino-3-pyridinyl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidin-1-yl]acetonitrile
Molecular FormulaC23H21N7O
Molecular Weight411.5
XLogP1.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity739
SMILES
C1CN(CCC1N2C(=O)C=NC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)CC#N
InChI
InChI=1S/C23H21N7O/c24-7-10-29-8-5-17(6-9-29)30-22(31)14-27-20-13-26-19-3-1-15(11-18(19)23(20)30)16-2-4-21(25)28-12-16/h1-4,11-14,17H,5-6,8-10H2,(H2,25,28)
InChIKey
PQEIMHBVHXTVNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of mTOR inhibitor-2
CAS: 2219323-96-1
CID: 137628643
Formula: C23H21N7O
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass411.18075832
Monoisotopic Mass411.18075832
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS387577-01mTOR inhibitor-2
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A13035-25MTOR inhibitor-2 25mg
A13035-1MTOR inhibitor-2 1mg

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