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MTI-31 - 99%, high purity , CAS No.1567915-38-1

COA

Grade & Purity:

≥99%

Cas Number: 1567915-38-1
Molecular Weight: 474.55
PubChem CID: 118591386

In stock

Item Number

M649987

Grouped product items
SKU	Size	Availability	Price
M649987-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$357.90
M649987-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$750.90
M649987-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,200.90

View related series

mTOR (145) PI3K/Akt/mTOR (765)

Basic Description

Synonyms	AKOS040754593 \| SCC-31 \| MS-28805 \| BDBM351976 \| US9796732, Compound 44 \| Preparation of 3-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-((S)-3-methylmorpholinyl)pyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide \| 1567915-38-1 \| CS-0090395 \| MTI-31 \| HY-126077
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	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
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridopyrimidines
    - Subclass Pyrido[2,3-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

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
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
Smiles	CC1COCCN1C2=NC3=C(C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)C(=N2)N5C6CCC5COC6
Isomeric SMILES	C[C@H]1COCCN1C2=NC3=C(C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)C(=N2)N5C6CCC5COC6
Alternate CAS	1567915-38-1
PubChem CID	118591386
Molecular Weight	474.55

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 8.33 mg/mL (17.55 mM; ultrasonic and warming and heat to 60°C)

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