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

CAS: 749886-87-1 Cat. No.: M134534 Formula: C₁₆H₂₀N₂ Peso molecolare: 240.34 Numero EC: 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Tipo di azione

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.

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

508809651

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (>10 mg/mL)
• Sensibilità: Light Sensitive,Heat Sensitive
• Punto di fusione (°C): 103 °C
• Peso molecolare: 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