M2698 - ≥99% , Ribosomal protein S6 kinase (P70S6K) inhibitor, CAS No.1379545-95-5, Ribosomal protein S6 kinase (P70S6K) inhibitor

CAS: 1379545-95-5 Cat. No.: M650774 Molecular Weight: 449.86 PubChem CID: 89808643
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
UNII-0DXG50I4WD | 0DXG50I4WD | M2698 | M-2698 | NSC795142 | NSC-795142 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | Q-101283 | SCHEMBL15262358 | M-2698;M 2698; MSC-2363318A; MSC 2363318A; MSC2363318A | 4-[[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]e
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
M650774-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$440.90
10mg
M650774-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$700.90
25mg
M650774-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,400.90
50mg
M650774-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,300.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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 )

Specifications

Synonyms
UNII-0DXG50I4WD | 0DXG50I4WD | M2698 | M-2698 | NSC795142 | NSC-795142 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | Q-101283 | SCHEMBL15262358 | M-2698;M 2698; MSC-2363318A; MSC 2363318A; MSC2363318A | 4-[[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]e
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
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.
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
Ribosomal protein S6 kinase (P70S6K) inhibitor
Purity
≥99%
Product Properties
ALogP3.9
Names and Identifiers
Canonical SmilesC1CN(C1)CC(C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N
IUPAC Name4-[[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
InChIKeyHXAUJHZZPCBFPN-QGZVFWFLSA-N
INCHI1S/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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Quinazolines
Direct ParentQuinazolinamines
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
RPS6KA4 Tchem Ribosomal protein S6 kinase alpha 4 (2104 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKG1 Tchem cGMP-dependent protein kinase 1 beta (2814 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKX Tchem Serine/threonine-protein kinase PRKX (2278 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 125 mg/mL (277.86 mM; Need ultrasonic)
Molecular Weight449.900 g/mol
XLogP33.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass449.123 Da
Monoisotopic Mass449.123 Da
Topological Polar Surface Area84.100 Ų
Heavy Atom Count31
Formal Charge0
Complexity635.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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