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MTI-31

CAT: 0931-T35343-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T35343-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1567915-38-1
Target
MTOR
Related Pathways
PI3K/Akt/mTOR signaling
Purity
0.9997
Bioactivity
MTI-31 (LXI-15029) is a potent, orally active, and highly selective inhibitor of mTORC1 and mTORC2, exhibiting a Kd of 0.20 nM for mTOR and >5,000-fold selectivity over PIK3CA, PIK3CB, and PIK3G in binding assays, with an IC50 of 39 nM for mTOR in a LANCE assay of mTOR substrate phosphorylation with 100 μM ATP [1].
Smiles
CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1C2CCC1COC2
Molecular Formula
C26H30N6O3
Molecular Weight
474.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mti-31

mTORC 1/2 Inhibitor LXI-15029 is an orally bioavailable inhibitor of raptor-mammalian target of rapamycin (mTOR) complex 1 (mTOR complex 1; mTORC1) and rictor-mTOR complex 2 (mTOR complex 2; mTORC2), with potential antineoplastic activity. Upon oral administration, mTORC1/2 inhibitor LXI-15029 binds to the kinase domain of mTOR and inhibits both mTORC1 and mTORC2, in an ATP-competitive manner. This inhibits mTOR-mediated signaling and leads to both an induction of apoptosis and a decrease in the proliferation of mTORC1/2-expressing tumor cells. mTOR is a serine/threonine kinase that is upregulated in certain tumor cell types. It plays an important role in the PI3K/Akt/mTOR signaling pathway, which is often deregulated in cancer cells and promotes cell growth, survival, and resistance to chemotherapy and radiotherapy.

CAS Number1567915-38-1
PubChem CID118591386
IUPAC NameN-methyl-3-[2-[(3S)-3-methylmorpholin-4-yl]-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
Molecular FormulaC26H30N6O3
Molecular Weight474.6
XLogP3
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity745
SMILES
C[C@H]1COCCN1C2=NC3=C(C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)C(=N2)N5C6CCC5COC6
InChI
InChI=1S/C26H30N6O3/c1-16-13-34-11-10-31(16)26-29-23-21(24(30-26)32-19-6-7-20(32)15-35-14-19)8-9-22(28-23)17-4-3-5-18(12-17)25(33)27-2/h3-5,8-9,12,16,19-20H,6-7,10-11,13-15H2,1-2H3,(H,27,33)/t16-,19?,20?/m0/s1
InChIKey
LVPBYQVQBZLDAU-DZIBYMRMSA-N
Chemical Structure
2D Structure
2D structure of Mti-31
CAS: 1567915-38-1
CID: 118591386
Formula: C26H30N6O3
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass474.23793884
Monoisotopic Mass474.23793884
Topological Polar Surface Area92.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity745
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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