CP-380736 - ≥98%(HPLC) , CAS No.179688-29-0

CAS: 179688-29-0 Cat. No.: C124695 Molecular Weight: 294.3 EC Number: 605-867-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

AM20090625 | CCG-43571 | PF00520893CP 380736 | AS-11435 | 6,7-bis-(2-Methoxyethoxy)-quinazolin-4(3h)-one | 6,7-BIS(2-METHOXYETHOXY)QUINAZOLIN-4(3H)-ONE | AKOS025402163 | 6,7-bis-(2-methoxyethoxy)-4(3H)quinazolinone | 6,7-Bis-(2-methoxyethoxy)-4(3H)-quinaz

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

CP-380736 is an inhibitor of the epidermal growth factor receptor (EGFR). EGFR is a tyrosine kinase that activates MAPK, JNK, and Akt pathways, and is an important mediator of several types of cancer, including lung cancer and glioblastoma multiforme.

Specifications

Synonyms

AM20090625 | CCG-43571 | PF00520893CP 380736 | AS-11435 | 6, 7-bis-(2-Methoxyethoxy)-quinazolin-4(3h)-one | 6, 7-BIS(2-METHOXYETHOXY)QUINAZOLIN-4(3H)-ONE | AKOS025402163 | 6, 7-bis-(2-methoxyethoxy)-4(3H)quinazolinone | 6, 7-Bis-(2-methoxyethoxy)-4(3H)-quinaz

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504773276
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773276
• Canonical Smiles: COCCOC1=C(C=C2C(=C1)C(=O)NC=N2)OCCOC
• IUPAC Name: 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
• InChIKey: PMQWTUWLIGJTQD-UHFFFAOYSA-N
• INCHI: 1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
• Isomeric SMILES: COCCOC1=C(C=C2C(=C1)C(=O)NC=N2)OCCOC
• WGK Germany: 3
• Molecular Weight: 294.3
• Reaxy-Rn: 10087641
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10087641&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidones Alkyl aryl ethers Benzenoids Vinylogous amides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Alkyl aryl ether - Pyrimidone - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Dialkyl ether - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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)

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

Discover Target: JAK2

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 192 °C
• Molecular Weight: 294.300 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 294.122 Da
• Monoisotopic Mass: 294.122 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 363.000
• 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