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

CAS: 749886-87-1 Cat. No.: M134534 Molecular Weight: 240.34 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

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.

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2)N
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO (>10 mg/mL)
• Sensitivity: Light Sensitive,Heat Sensitive
• Melt Point(°C): 103 °C
• Molecular Weight: 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

References

1. Waimei Si, Xin Li, Bei Jing, Shiquan Chang, Yachun Zheng, Zhenni Chen, Guoping Zhao, Di Zhang.  (2023)  Stigmasterol regulates microglial M1/M2 polarization via the TLR4/NF-κB pathway to alleviate neuropathic pain.  PHYTOTHERAPY RESEARCH,      [PMID:37871970] [10.1002/ptr.8039]

2. Jin Zhang, Changsong Wang, Hongliang Wang, Xueting Li, Jingjing Xu, Kaijiang Yu.  (2021)  Loganin alleviates sepsis-induced acute lung injury by regulating macrophage polarization and inhibiting NLRP3 inflammasome activation.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:33744777] [10.1016/j.intimp.2021.107529]

3. Yujie Jia, Yu Tong, Lianqiu Min, Yanrong Li, Yan Cheng.  (2021)  Protective effects of oridonin against cerebral ischemia/reperfusion injury by inhibiting the NLRP3 inflammasome activation.  TISSUE & CELL,      [PMID:33676236] [10.1016/j.tice.2021.101514]

4. Min Xiao-li, Shi Ying, Xu Ying, Li Yu-ye, Dong You-kang, Chen Fei-xiong, Chen Quan-ming, Sun Yu-long, Liao Rui, Wang Jia-ping.  (2025)  Mechanism of Sirtuin1-Mediated Deacetylation of p65-Mediated Ferroptosis of Hippocampal Neurons in Cerebral Injury after Cardiopulmonary Resuscitation in Rats.  NEUROCHEMICAL RESEARCH,  50  (1): (1-17).  [PMID:39751951] [10.1007/s11064-024-04297-4]