≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
MTI-31 (LXI-15029) is a potent, orally active and highly selective inhibitor of mTORC1 and mTORC2 . MTI-31 is selective for mTOR ( K d : 0.20 nM) versus PIK3CA, PIK3CB and PIK3G with >5,000 fold selectivity in mTOR binding assays. MTI-31 shows an IC 50 of 39 nM for mTOR in LANCE assay of mTOR substrate phosphorylation with 100 μM ATP. MTI-31 can be used for the research of breast cancer
In Vitro
MTI-31 acts as a potent and selective inhibitor of mTOR enzymatic activity capable of targeting both mTORC1 and mTORC2 functions in cancer cells. MTI-31 (0.01-100 μM) elicits a potent and more substantial inhibition of cell growth than that of Rapamycin. Treatment with MTI-31 for 6 h demonstrates a dose-dependent inhibition of both the mTORC1 substrates P-S6K1(T389), P-S6(S235/6), P-4EBP1(T70) and mTORC2 substrate P-AKT(S473), achieving 50% inhibition at ≤0.12 μM in three representative tumor cell lines harboring mTOR pathway dysregulation (786-O renal, U87MG glioma and MDA-MB-453 breast). MTI-31-induced apoptosis requires mTORC2-regulated Bim- and GSK3 activity. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: MDA-MB-453 cells Concentration: 0.01, 0.1, 1, 10, 100 μM Incubation Time: 3 days Result: Significantly inhibited cellular proliferation after treatment for 3 days. Western Blot AnalysisCell Line: 786-O renal, U87MG glioma and MDA-MB-453 breast cells Concentration: 0.12, 0.37, 1.11, 3.33, 10 μM Incubation Time: 6 hours Result: Demonstrated a dose-dependent inhibition of both the mTORC1 substrates P-S6K1(T389), P-S6(S235/6), P-4EBP1(T70) and mTORC2 substrate P-AKT(S473).
In Vivo
MTI-31 is a potent mTOR inhibitor in vivo and elicits strong antitumor efficacy. MTI-31(5-40 mg/kg; orally) is efficacious in several tumor models harboring HER2+/PIK3CAmut and/or PTEN-deficiency exemplified by MDA-MB-453 and 786-O . Treatment of tumor bearing nude mice with orally administered MTI-31 inhibits growth of H1975 tumors (25 mg/kg/d; orally) or U87MG tumors (30 mg/kg/d; orally). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female nude mice bearing tumors of MDA-MB-453, 786-O or HCC1806 Dosage: 2.5, 5, 10, 20, 40 mg/kg for MDA-MB-453 and 786-O; 20 and 40 mg/kg for HCC1806 Administration: Treated orally via a once daily (qd) regimen Result: Was efficacious in several tumor models harboring HER2+/PIK3CAmut and/or PTEN-deficiency exemplified by MDA-MB-453 and 786-O. Demonstrated a dose proportional tumor growth inhibition (TGI) with a minimum efficacious dose (MED) of 5 mg/kg (>50% TGI, p<0.01) and a maximum tolerated dose (MTD) of 40 mg/kg (7-15% body weight loss without mortality). In contrast, had limited efficacy in the HER2-/PIK3CAwt HCC1806 breast tumor model even at the highest 40 mg/kg.
Form:Solid
IC50& Target:mTOR 0.2 nM (Ki) mTOR 39 nM (IC 50 , 100 μM ATP) mTORC1 mTORC2
| Sonrisas canónicas | CC1COCCN1C2=NC3=C(C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)C(=N2)N5C6CCC5COC6 |
|---|---|
| IUPAC Name | N-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 |
| InChIKey | LVPBYQVQBZLDAU-DZIBYMRMSA-N |
| 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 |
| Isómeros SMILES | C[C@H]1COCCN1C2=NC3=C(C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)C(=N2)N5C6CCC5COC6 |
| CAS alternativo | 1567915-38-1 |
| PubChem CID | 118591386 |
| Peso molecular | 474.55 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridopyrimidines |
| Subclass | Pyrido[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrido[2,3-d]pyrimidines |
| Alternative Parents | Benzamides Dialkylarylamines Benzoyl derivatives Oxepanes Methylpyridines Aminopyrimidines and derivatives N-acyl amines Morpholines Imidolactams Pyrrolidines Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Benzoic acid or derivatives - Benzamide - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Methylpyridine - Oxepane - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Oxazinane - N-acyl-amine - Morpholine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position. |
| External Descriptors | Not available |
| Solubilidad | DMSO : 8.33 mg/mL (17.55 mM; ultrasonic and warming and heat to 60°C) |
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