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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
M2698 (MSC2363318A) is an orally active, ATP competitive, selective p70S6K and Akt dual-inhibitor with IC 50 s of 1 nM for p70S6K , Akt1 and Akt3 . M2698 can cross the blood-brain barrier and has anti-cancer activity
In Vitro
M2698 (0.3 nM to 50 M; 72 hours) inhibits proliferation in a dose-dependent manner in breast tumors cell lines with IC 50 s of 0.02-8.5 µM. M2698 (0.3, 1 µM; 24 hours) inhibits p70S6K activity and induces feedback loop phosphorylation on Akt and suppresses Akt activity in breast cancer cell lines. M2698 inhibits indirectly pGSK3β (IC 50 =17 nM) and pS6 (IC 50 =15 nM). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: Breast tumors cell lines Concentration: 0.3 nM to 50 M Incubation Time: 72 hours Result: Inhibited proliferation in a dose-dependent manner. Western Blot AnalysisCell Line: HCC1419 and MDA-MB-453 cells Concentration: 0.3, 1 µM Incubation Time: 24 hours Result: Inhibited p70S6K activity and induced feedback loop phosphorylation on Akt and suppressed Akt activity in breast cancer cell lines.
In Vivo
M2698 (10-30 mg/kg/day; PO; 28 days) results in dose-dependent inhibition of tumor growth and results in tumor regression with the highest dose of 30 mg/kg . M2698 (20 mg/kg/day; PO; 4 days) has a tumor:plasma exposure ratio of 12:1 over 24 hours and leads to increased levels of pAkt in tumor tissue . The mean total concentration of M2698 after 16-hour infusion in rats is 1750 ng/g and 175 ng/mL in brain and plasma, respectively . M2698 (po; 1, 5, 10, or 20 mg/kg/day; for 7 days) inhibits the phosphorylation of S6 in a dose-proportional manner over time after a single administration or daily treatments over 7 days . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female nude mice bearing MDA-MB-468 tumors Dosage: 10, 20 and 30 mg/kg Administration: PO; daily; for 28 days Result: Resulted in dose-dependent inhibition of tumor growth and resulted in tumor regression with the highest dose of 30 mg/kg. Animal Model: Female SCID Beige mice with MDA-MB-453 xenografted Dosage: 20 mg/kg (Pharmacokinetic Analysis) Administration: Daily; for 4 days Result: Had a tumor:plasma exposure ratio of 12:1 over 24 hours.
Form:Solid
IC50& Target:p70S6K 1 nM (IC 50 ) Akt1 1 nM (IC 50 ) Akt3 1 nM (IC 50 )
| ALogP | 3.9 |
|---|
| Canonical Smiles | C1CN(C1)CC(C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N |
|---|---|
| IUPAC Name | 4-[[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide |
| InChIKey | HXAUJHZZPCBFPN-QGZVFWFLSA-N |
| INCHI | 1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1 |
| Isomeric SMILES | C1CN(C1)C[C@H](C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N |
| Alternate CAS | 1379545-95-5 |
| PubChem CID | 89808643 |
| MeSH Entry Terms | 4-((S)-2-azetidin-1-yl-1-(4-chloro-3-trifluoromethyl-phenyl)ethylamino)quinazoline-8-carboxylic acid amide;M2698 |
| Molecular Weight | 449.86 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Trifluoromethylbenzenes Aminopyrimidines and derivatives Aralkylamines Chlorobenzenes Aryl chlorides Imidolactams Heteroaromatic compounds Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Azetidines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Trifluoromethylbenzene - Aminopyrimidine - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Azetidine - Carboxamide group - Tertiary aliphatic amine - Primary carboxylic acid amide - Tertiary amine - Azacycle - Carboxylic acid derivative - Organohalogen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
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| Solubility | DMSO : 125 mg/mL (277.86 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 449.900 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 449.123 Da |
| Monoisotopic Mass | 449.123 Da |
| Topological Polar Surface Area | 84.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 635.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |