AG-1557 - ≥98% , CAS No.189290-58-2

CAS: 189290-58-2 Cat. No.: A412206 分子式: C₁₆H₁₄IN₃O₂ 分子量: 407.21

GRADE & PURITY ≥98%

Synonyms

4-Quinazolinamine, N-(3-iodophenyl)-6,7-dimethoxy- | MFCD28902185 | N-(3-Iodophenyl)-6,7-dimethoxy-4-quinazolinamine | HY-12806 | AG 1557 | F11460 | DTXSID10877962 | BDBM3533 | MS-26985 | AC-35894 | S0151 | SCHEMBL7123822 | N-(3-IODOPHYENYL)-6,7-DIMETHOXY

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

AG-1557 is a specific and ATP competitive inhibitor ofepidermal growth factor receptor (EGFR)tyrosine kinase.

Targets

EGFR

Specifications

同義語

4-Quinazolinamine, N-(3-iodophenyl)-6,7-dimethoxy- | MFCD28902185 | N-(3-Iodophenyl)-6,7-dimethoxy-4-quinazolinamine | HY-12806 | AG 1557 | F11460 | DTXSID10877962 | BDBM3533 | MS-26985 | AC-35894 | S0151 | SCHEMBL7123822 | N-(3-IODOPHYENYL)-6,7-DIMETHOXY

仕様と純度

≥98%

生化学的・生理学的メカニズム

AG-1557 is a specific and ATP competitive inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

• ALogP: 4.022
• hba_count: 4
• HBD数: 1
• 回転可能な結合: 4

名前と識別子

• パブケム・シド: 504763630
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504763630
• カノニカル・スマイル: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)I)OC
• IUPAC Name: N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine
• InChIKey: FGCLAQLIXMAIHT-UHFFFAOYSA-N
• INCHI: 1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
• 異性体SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)I)OC
• 分子量: 407.21
• Reaxy-Rn: 7437035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7437035&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Anisoles Aniline and substituted anilines Iodobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl iodides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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

関連ターゲット（人間）

EGFR Tclin Epidermal growth factor receptor (2 Activities)

Discover Target: EGFR

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 40 mg/mL (98.22 mM); Ethanol: 3 mg/mL (7.36 mM); Water: Insoluble
• DMSO（mg / mL） 最大溶解度: 40
• DMSO（mM） 最大溶解度: 98.2294147982613
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 407.210 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 407.013 Da
• Monoisotopic Mass: 407.013 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 360.000
• 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