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PI3K/mTOR Inhibitor-3

CAT: 0804-HY-141476Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-141476Size:1 Each
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Description
PI3K/mTOR Inhibitor-3 (compound 12), an imidazoline, is a potent PI3K and mTOR dual inhibitor. PI3K/mTOR Inhibitor-3 has anti-cancer activity[1].
CAS Number
1363338-53-7
UNSPSC
12352005
Target
MTOR; PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pi3k-mtor-inhibitor-3.html
Solubility
10 mM in DMSO
Smiles
O=C(N1C2CCNCC2)N(C)C3=C1C4=CC(C5=CC=C(C)N=C5)=CC=C4N=C3
Molecular Formula
C22H23N5O
Molecular Weight
373.45
References & Citations
[1]Zhenhua Huang. Double inhibitors of PI3K and mTOR of imidazoline. CN102372711A.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MTOR; PI3K

Chemical Information

PI3K/mTOR Inhibitor-3
CAS Number1363338-53-7
PubChem CID60151553
IUPAC Name3-methyl-8-(6-methyl-3-pyridinyl)-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one
Molecular FormulaC22H23N5O
Molecular Weight373.5
XLogP2.3
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity579
SMILES
CC1=NC=C(C=C1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5CCNCC5)C
InChI
InChI=1S/C22H23N5O/c1-14-3-4-16(12-24-14)15-5-6-19-18(11-15)21-20(13-25-19)26(2)22(28)27(21)17-7-9-23-10-8-17/h3-6,11-13,17,23H,7-10H2,1-2H3
InChIKey
LNQQYBUEVDGDBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI3K/mTOR Inhibitor-3
CAS: 1363338-53-7
CID: 60151553
Formula: C22H23N5O
MW: 373.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass373.19026037
Monoisotopic Mass373.19026037
Topological Polar Surface Area61.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity579
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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