JNJ-38877618(OMO-1) - Moligand™, ≥98% , Inhibitor of MET proto-oncogene; receptor tyrosine kinase, CAS No.943540-74-7, Inhibitor of MET proto-oncogene; receptor tyrosine kinase

CAS: 943540-74-7 Cat. No.: J414224 Molecular Weight: 374.35

GRADE & PURITY Moligand™, ≥98%

Synonyms

GTPL10507 | 6-{difluoro[6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline | HY-111050 | 6-(difluoro(6-(pyridin-4-yl)1,2,4triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline | 6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

JNJ-38877618(OMO-1) JNJ-38877618 (OMO-1) is a potent, highly selective, orally bioavailable Met (c-Met) kinase inhibitor with binding affinity (Kd) of 1.4 nM and enzyme inhibitory activity against wt and M1268T mutant Met (c-Met) (2 and 3 nM IC50).

Targets

Met (Cell-free assay); MET (M1268T) (Cell-free assay) 2 nM; 3 nM

In vivo

OMO-1 induces complete inhibition of tumor growth in 3 models: the SNU5 MET amp gastric, U87-MG HGF autocrine glioblastoma and Hs746T MET exon 14 skipping mutant gastric cancer. Combination treatments are well tolerated and improve EGFR targeted therapy. Although single agent OMO-1 has no effect on NSCLC HCC827 EGFR, combination with Erlotinib leads to delayed onset of tumor recurrence.

Specifications

Synonyms

GTPL10507 | 6-{difluoro[6-(pyridin-4-yl)-[1, 2, 4]triazolo[4, 3-b]pyridazin-3-yl]methyl}quinoline | HY-111050 | 6-(difluoro(6-(pyridin-4-yl)1, 2, 4triazolo[4, 3-b]pyridazin-3-yl)methyl)quinoline | 6-[difluoro-(6-pyridin-4-yl-[1, 2, 4]triazolo[4, 3-b]pyridazin-3-yl

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

JNJ-38877618 (OMO-1) is a potent, highly selective, orally bioavailable Met (c-Met) kinase inhibitor with binding affinity (Kd) of 1.4 nM and enzyme inhibitory activity against wt and M1268T mutant Met (c-Met) (2 and 3 nM IC50).

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™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of MET proto-oncogene; receptor tyrosine kinase

Purity

≥98%

Product Properties

• ALogP: 3.252
• hba_count: 5
• Rotatable Bond: 3

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC(=C2)C(C3=NN=C4N3N=C(C=C4)C5=CC=NC=C5)(F)F)N=C1
• IUPAC Name: 6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
• InChIKey: KOAWAWHSMVKCON-UHFFFAOYSA-N
• INCHI: 1S/C20H12F2N6/c21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13/h1-12H
• Isomeric SMILES: C1=CC2=C(C=CC(=C2)C(C3=NN=C4N3N=C(C=C4)C5=CC=NC=C5)(F)F)N=C1
• Molecular Weight: 374.35
• Reaxy-Rn: 12928048
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12928048&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Triazolopyridazines Pyridines and derivatives Pyridazines and derivatives Benzenoids Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Triazolopyridazine - Pyridazine - Pyridine - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: Not available

Data sources

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

Associated Targets(Human)

MET Tclin Hepatocyte growth factor receptor (0 Activities)

Discover Target: MET

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 10 mg/mL (26.71 mM); Ethanol: 2 mg/mL (5.34 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 10
• DMSO(mM) Max Solubility: 26.7129691465206
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 374.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 374.109 Da
• Monoisotopic Mass: 374.109 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 543.000
• 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: 1