JNJ-47117096 hydrochloride - ≥98% , CAS No.1610536-69-0

CAS: 1610536-69-0 Cat. No.: J650437 Molecular Weight: 398.89 PubChem CID: 132472238

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

JNJ-47117096 hydrochloride is potent and selective MELK inhibitor, with an IC 50 of 23 nM, also effectively inhibits Flt3 , with an IC 50 of 18 nM.

In Vitro

JNJ-47117096 hydrochloride is potent and selective MELK inhibitor, with an IC 50 of 23 nM, also effectively inhibits Flt3, with an IC 50 of 18 nM, and slighitly blocks CAMKIIδ, Mnk2, CAMKIIγ, and MLCK (IC 50 , 810 nM, 760 nM, 1000 nM, 1000 nM). JNJ-47117096 (MELK-T1) suppresses the proliferation of Flt3-driven Ba/F3 cell lines, with an IC 50 of 1.5 μM in the absence of IL-3, while no inhibitory activity is observed in the presence of IL-3. JNJ-47117096 does not inhibit the proliferation of Ba/F3 cell lines transfected with either FGFR1, FGFR3, or KDR, either in the presence or absence of IL-3. JNJ-47117096 (MELK-T1, 10 μM) delays the progression of MCF-7 cells through S-phase. JNJ-47117096 inhibits MELK, and then exerts stalled replication forks and DNA double-strand breaks (DSBs). JNJ-47117096 activates the ATM-mediated DNA-damage response (DDR). JNJ-47117096 (3, 10 μM) results in a growth arrest and a senescent phenotype. Moreover, JNJ-47117096 induces a strong phosphorylation of p53, a prolonged up-regulation of p21 and a down-regulation of FOXM1 target genes. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 23 nM (MELK), 18 nM (Flt3)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

JNJ-47117096 hydrochloride is potent and selective MELK inhibitor, with an IC 50 of 23 nM, also effectively inhibits Flt3 , with an IC 50 of 18 nM.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)C2=CNN=C2)C(=O)NC3=CC4=C(CCNCC4)C=C3.Cl
• IUPAC Name: 2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide;hydrochloride
• InChIKey: OXRWZUUCCUDKJJ-UHFFFAOYSA-N
• INCHI: 1S/C21H22N4O2.ClH/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18;/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26);1H
• PubChem CID: 132472238
• Molecular Weight: 398.89

Chemical and Physical Properties

• Solubility: DMSO : ≥ 250 mg/mL (626.74 mM) H2O : 3.33 mg/mL (8.35 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 398.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 398.151 Da
• Monoisotopic Mass: 398.151 Da
• Topological Polar Surface Area: 79.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 503.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

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