KCC 07 - ≥98%(HPLC) , CAS No.315702-75-1

CAS: 315702-75-1 Cat. No.: K288208 분자식: C₁₄H₁₁N₃OS 분자량: 269.32

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-[[4-(2-Pyridinyl)-2-thiazolyl]amino]phenol | KCC-07

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

3-[[4-(2-Pyridinyl)-2-thiazolyl]amino]phenol | KCC-07

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

MBD2 (Methyl-CpG-binding domain protein 2) inhibitor. Prevents binding of MBD2 to methylated DNA and activates brain specific angiogenesis inhibitor 1 (BAI1)/p53 signaling. Inhibits medulloblastoma (MB) cell growthin vitroand reduces tumor size in mice be

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

528765037

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765037

정식 스마일

C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC(=CC=C3)O

IUPAC Name

3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol

InChIKey

GIGNWEDIMLUWCT-UHFFFAOYSA-N

INCHI

1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)

이성체 SMILES

C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC(=CC=C3)O

분자량

269.32

Reaxy-Rn

28751980

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28751980&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: m-Aminophenols 2,4-disubstituted thiazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: M-aminophenol - Aminophenol - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1,3-thiazol-2-amine - Pyridine - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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)

MECP2 Tchem Methyl-CpG-binding protein 2 (12 Activities)

Discover Target: MECP2

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 26.93, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.39, Max Conc. mM: 20
• 분자량: 269.320 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.062 Da
• Monoisotopic Mass: 269.062 Da
• Topological Polar Surface Area: 86.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 292.000
• 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