KPT 9274 ( ATG-019) - Moligand™, ≥98% , CAS No.1643913-93-2

CAS: 1643913-93-2 Cat. No.: K414012 Molecular Weight: 610.62

GRADE & PURITY Moligand™, ≥98%

Synonyms

(E)-3-(6-aminopyridin-3-yl)-N-((5-(4-(4,4-difluoropiperidine-1-carbonyl)phenyl)-7-(4-fluorophenyl)benzofuran-2-yl)methyl)acrylamide | AS-79230 | (E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofura

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

KPT 9274 ( ATG-019) KPT 9274 ( ATG-019) is an orally bioavailable small molecule that is a non-competitive dual inhibitor of PAK4 and NAMPT . It shows an IC50 of ~120 nM for NAMPT in a cell-free enzymatic assay.

Targets

PAK4 (Cell-free assay); NAMPT (Cell-free assay) ; ~120 nM

In vitro

KPT-9274 interferences with PAK4 and NAD biosynthetic pathways results in reduction of G2/M transit as well as induction of apoptosis and decrease in cell invasion and migration in several human RCC cell lines. The inhibition of the PAK4 pathway by KPT-9274 attenuates nuclear β-catenin as well as the Wnt/β-catenin targets cyclin D1 and c-Myc.

In vivo

KPT-9274 administration to a 786-O (VHL-mut) human RCC xenograft model leads to dose-dependent inhibition of tumor growth with no apparent toxicity. It also shows remarkable anti-tumor activity in sub-cutaneous xenograft models of pancreatic ductal adenocarcinoma (PDAC) cell lines and cancer stem cells as a single agent. KPT-9274 possesses desirable PK properties and is well tolerated in mice with the absence of any signs of toxicity when 200 mg/kg daily is administered either intravenously or orally.

Cell Research(from reference)

Cell lines：786-0, ACHN, Caki-1 and U-2 OS cells 

Concentrations：1μM and 5μM 

Incubation Time：12 hours 

Specifications

Synonyms

(E)-3-(6-aminopyridin-3-yl)-N-((5-(4-(4, 4-difluoropiperidine-1-carbonyl)phenyl)-7-(4-fluorophenyl)benzofuran-2-yl)methyl)acrylamide | AS-79230 | (E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4, 4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofura

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

KPT 9274 ( ATG-019) is an orally bioavailable small molecule that is a non-competitive dual inhibitor of PAK4 and NAMPT. It shows an IC50 of ~120 nM for NAMPT in a cell-free enzymatic assay.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Product Properties

• ALogP: 5.59
• hba_count: 4
• HBD Count: 2
• Rotatable Bond: 7

Names and Identifiers

• Pubchem Sid: 504772833
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772833
• Canonical Smiles: C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)C=CC5=CN=C(C=C5)N)C6=CC=C(C=C6)F
• IUPAC Name: (E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
• InChIKey: MRFOPLWJZULAQD-SWGQDTFXSA-N
• INCHI: 1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+
• Isomeric SMILES: C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)/C=C/C5=CN=C(C=C5)N)C6=CC=C(C=C6)F
• Molecular Weight: 610.62
• Reaxy-Rn: 30718506
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30718506&ln=

Associated Targets(Human)

PAK4 Tchem Serine/threonine-protein kinase PAK 4 (3212 Activities)

Discover Target: PAK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (163.76 mM); Ethanol: 100 mg/mL (163.76 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 163.7679735
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 610.600 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 610.219 Da
• Monoisotopic Mass: 610.219 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1