JSH-23 - ≥98%(HPLC) , CAS No.749886-87-1

CAS: 749886-87-1 Cat. No.: M134534 Fórmula: C₁₆H₂₀N₂ Peso molecular: 240.34 Número CE: 685-995-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, sodium salt | CCG-266875 | 4-methyl-N(1)-(3-phenylpropyl)benzene-1,2-diamine | A14142 | MFCD09753595 | NF-kappaB activation inhibitor II | AC-33089 | HMS3886H13 | SW218183-2 | DTXS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

JSH-23 is an inhibitor of NF-κB transcriptional activity with IC50 of 7.1 μM in RAW 264.7 cell line.

Specifications

Sinónimos

Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, sodium salt | CCG-266875 | 4-methyl-N(1)-(3-phenylpropyl)benzene-1,2-diamine | A14142 | MFCD09753595 | NF-kappaB activation inhibitor II | AC-33089 | HMS3886H13 | SW218183-2 | DTXS

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

NF-κB Activation Inhibitor II, JSH-23 is an inhibitor of NF-κB transcriptional activity (IC50 = 7.1 μM). JSH-23 is described to interfere with lipopolysaccharide-induced nuclear translocation of the factor, inhibiting the mechanism of transcription, witho

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nota

Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

508809651

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809651

Sorrisos canónicos

CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2)N

IUPAC Name

4-methyl-1-N-(3-phenylpropyl)benzene-1,2-diamine

InChIKey

YMFNPBSZFWXMAD-UHFFFAOYSA-N

INCHI

1S/C16H20N2/c1-13-9-10-16(15(17)12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3

SMILES isoméricas

CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2)N

WGK Alemanha

3

Peso molecular

240.34

Reaxy-Rn

24398255

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24398255&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropylamines
• Alternative Parents: Diaminotoluenes Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropylamine - Diaminotoluene - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Secondary amine - Amine - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
• 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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (>10 mg/mL)
• Sensibilidade: Light Sensitive,Heat Sensitive
• Ponto de fusão (°C): 103 °C
• Peso molecular: 240.340 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.163 Da
• Monoisotopic Mass: 240.163 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 223.000
• 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