AG-1557 - ≥98% , CAS No.189290-58-2

CAS: 189290-58-2 Cat. No.: A412206 분자식: C₁₆H₁₄IN₃O₂ 분자량: 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

개요

Information

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

Targets

EGFR

Specifications

동의어

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

• ALogP: 4.022
• hba_count: 4
• HBD 수: 1
• 회전 가능한 결합: 4

이름과 식별자

• Pubchem Sid: 504763630
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763630
• 정식 스마일: 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)
• 이성체 SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)I)OC
• 분자량: 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
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 40 mg/mL (98.22 mM); Ethanol: 3 mg/mL (7.36 mM); Water: Insoluble
• DMSO(mg/mL) 최대 용해도: 40
• DMSO(mM) 최대 용해도: 98.2294147982613
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 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