Eph inhibitor 1 - ≥97% , CAS No.861249-77-6

CAS: 861249-77-6 Cat. No.: E650963 分子式: C₁₇H₁₃N₅O 分子量: 303.32 PubChem CID: 11638044

GRADE & PURITY ≥97%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Eph inhibitor 1 is a potent Eph inhibitor. Eph inhibitor 1 has the potential for the research of neurological disorders.

Form:Solid

Specifications

仕様と純度

≥97%

生化学的・生理学的メカニズム

Eph inhibitor 1 is a potent Eph inhibitor. Eph inhibitor 1 has the potential for the research of neurological disorders.

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

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。

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

• カノニカル・スマイル: C1=CC(=CC(=C1)O)C2=C(N3C(=C(C=N3)C4=CN=CC=C4)N=C2)N
• IUPAC Name: 3-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenol
• InChIKey: RDCISORSAAOABP-UHFFFAOYSA-N
• INCHI: 1S/C17H13N5O/c18-16-14(11-3-1-5-13(23)7-11)9-20-17-15(10-21-22(16)17)12-4-2-6-19-8-12/h1-10,23H,18H2
• 異性体SMILES: C1=CC(=CC(=C1)O)C2=C(N3C(=C(C=N3)C4=CN=CC=C4)N=C2)N
• PubChem CID: 11638044
• 分子量: 303.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Pyrazolylpyridines Pyrazolo[1,5-a]pyrimidines Aminopyrimidines and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylpyrimidine - 3-pyrazolylpyridine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aminopyrimidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Primary amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (329.68 mM; Need ultrasonic)
• 分子量: 303.320 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 303.112 Da
• Monoisotopic Mass: 303.112 Da
• Topological Polar Surface Area: 89.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 408.000
• 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