Ravoxertinib hydrochloride - ≥98% , CAS No.2070009-58-2

CAS: 2070009-58-2 Cat. No.: R651307 Molecular Weight: 477.32 PubChem CID: 92044395

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Ravoxertinib hydrochloride (GDC-0994 hydrochloride) is an orally bioavailable inhibitor selective for ERK kinase activity with IC 50 of 6.1 nM and 3.1 nM for ERK1 and ERK2 , respectively.

In Vitro

Ravoxertinib also inhibits p90RSK with IC 50 of 12 nM. Ravoxertinib is highly selective for ERK1 and ERK2, with biochemical potency of 1.1 nM and 0.3 nM, respectively. Ravoxertinib (GDC0994; 50 nM, 0.5 µM, and 5 µM; 48 hours) decreases the viability of lung adenocarcinoma cell lines (A549, HCC827, HCC4006) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In CD-1 mice, a 10 mg/kg oral dose of Ravoxertinib is sufficient to achieve the desired target coverage for at least 8 h . Daily, oral dosing of Ravoxertinib results in significant single-agent activity in multiple in vivo cancer models, including KRAS-mutant and BRAF-mutant human xenograft tumors in mice. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:ERK2 3.1 nM (IC 50 ) ERK1 6.1 nM (IC 50 ) p-RSK 12 nM (IC 50 )

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Ravoxertinib hydrochloride (GDC-0994 hydrochloride) is an orally bioavailable inhibitor selective for ERK kinase activity with IC 50 of 6.1 nM and 3.1 nM for ERK1 and ERK2 , respectively.

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)C(CO)C4=CC(=C(C=C4)Cl)F.Cl
• IUPAC Name: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;hydrochloride
• InChIKey: RMNVBUVHPAETTJ-GMUIIQOCSA-N
• INCHI: 1S/C21H18ClFN6O2.ClH/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14;/h2-11,18,30H,12H2,1H3,(H,24,26,27);1H/t18-;/m1./s1
• Isomeric SMILES: CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)[C@H](CO)C4=CC(=C(C=C4)Cl)F.Cl
• PubChem CID: 92044395
• Molecular Weight: 477.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: Pyridinones Chlorobenzenes Dihydropyridines Fluorobenzenes Aryl chlorides Aryl fluorides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organofluorides Primary alcohols Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Chlorobenzene - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Pyridine - Benzenoid - Pyrazole - Azole - Heteroaromatic compound - Lactam - Azacycle - Hydrochloride - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - Primary alcohol - Organofluoride - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (209.50 mM; Need ultrasonic) H2O : <0.1 mg/mL (ultrasonic;warming;heat to 80°C) (insoluble)