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

CAS: 861249-77-6 Cat. No.: E650963 분자식: C₁₇H₁₃N₅O 분자량: 303.32 PubChem CID: 11638044

GRADE & PURITY ≥97%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

Form:Solid

Specifications

사양 및 순도

≥97%

생화학 및 생리적 메커니즘

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

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

순수함

≥97%

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: C1=CC(=CC(=C1)O)C2=C(N3C(=C(C=N3)C4=CN=CC=C4)N=C2)N
• PubChem CID: 11638044
• 분자량: 303.32

Taxonomic Classification

Taxonomy Tree

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

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

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (329.68 mM; Need ultrasonic)
• 분자량: 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