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MTOR inhibitor 13

CAT: 1410-M37620-01Size: 1 EachDry Ice: NoHazardous: No
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Description
MTOR inhibitor 13 is a selective mTOR inhibitor with IC50 of 0.29nM and 119nM for mTOR and PI3Kα, respectively.
CAS Number
1144075-44-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
458.54
Molecular Formula
C24H22N6O2S
Notes
Research use only, not for human use.
Receptor
PI3K | mTOR

Chemical Information

mTOR inhibitor-13
CAS Number1144075-44-4
PubChem CID46227572
IUPAC Name1-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridin-3-ylurea
Molecular FormulaC24H22N6O2S
Molecular Weight458.5
XLogP3.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity680
SMILES
C1CC2CN(CC1O2)C3=NC(=NC4=C3SC=C4)C5=CC=C(C=C5)NC(=O)NC6=CN=CC=C6
InChI
InChI=1S/C24H22N6O2S/c31-24(27-17-2-1-10-25-12-17)26-16-5-3-15(4-6-16)22-28-20-9-11-33-21(20)23(29-22)30-13-18-7-8-19(14-30)32-18/h1-6,9-12,18-19H,7-8,13-14H2,(H2,26,27,31)
InChIKey
IKYYAFMKEGKZGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of mTOR inhibitor-13
CAS: 1144075-44-4
CID: 46227572
Formula: C24H22N6O2S
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass458.15249514
Monoisotopic Mass458.15249514
Topological Polar Surface Area121 Ų
Heavy Atom Count33
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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