CBA - Moligand™, 10mM in DMSO , Channel blocker of TRPM4;Gating inhibitor of TRPM4, CAS No.351424-20-9, Channel blocker of TRPM4;Gating inhibitor of TRPM4

CAS: 351424-20-9 Cat. No.: C423565 Molecular Weight: 340.16

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

4-Chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

4-Chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Selective TRPM4 blocker (IC50= 1.5 μM). Exhibits no significant activity against TRPM5, TRPM7, TRPM8, TRPV1, TRPV3, TRPV6 and a range of other ion channels and receptors. Displays neuroprotective effects against glutamate-induced neurodegenerationin vitro

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Action Type

CHANNEL BLOCKER, GATING INHIBITOR

Mechanism of action

Channel blocker of TRPM4;Gating inhibitor of TRPM4

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)Cl
• IUPAC Name: 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
• InChIKey: CVQCJPCMPGKEDH-UHFFFAOYSA-N
• INCHI: 1S/C15H11Cl2NO4/c16-9-5-6-10(15(20)21)12(7-9)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)
• Isomeric SMILES: C1=CC=C(C(=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)Cl
• Molecular Weight: 340.16
• Reaxy-Rn: 32871543
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32871543&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: 4-halobenzoic acids Halobenzoic acids Anilides Benzoic acids Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Anilide - Phenol ether - Phenoxy compound - N-arylamide - Benzoyl - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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(Human)

TRPM4 Tchem Transient receptor potential cation channel subfamily M member 4 (2 Activities)

Discover Target: TRPM4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 340.200 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 339.007 Da
• Monoisotopic Mass: 339.007 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 407.000
• 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. Jinlong Cao, Zhen Zhang, Lin Ye, Xiaowen Zhao.  (2023)  Construction of poly(vinyl alcohol)-based ionogels with continuous ion transport channels enables high performance ionic soft actuators.  Journal of Materials Chemistry A,  11  (37): (19981-19995).  [PMID:] [10.1039/D3TA03726F]

2. Jinyu Wang, Qianqian Qiao, Yuqi Feng, Yuhao Guo, Tao Liao, Linwei Li, Ying Kuang, Bingbing Jiang, Ziqiang Xu, Cao Li.  (2024)  Two-dimensional MXene-based nano-prodrug for synergistic chemo-photothermal therapy on cancer treatment.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2024.102048]

3. Huan Lv, Xueqin Wang, Qiuxia Fu, Yang Si, Xia Yin, Xiaoran Li, Gang Sun, Jianyong Yu, Bin Ding.  (2017)  A versatile method for fabricating ion-exchange hydrogel nanofibrous membranes with superb biomolecule adsorption and separation properties.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:28753489] [10.1016/j.jcis.2017.07.060]