A22 hydrochloride - Moligand™,≥95%(HPLC) , CAS No.22816-60-0

CAS: 22816-60-0 Cat. No.: A168784 Formula: C₈H₉Cl₃N₂S Molecular Weight: 271.59 EC Number: 803-561-7 PubChem CID: 2830968

GRADE & PURITY Moligand™, ≥95%(HPLC)

Synonyms

A22 hydrochloride, >=95% (HPLC) | J-014869 | Z48820353 | NSC28121 | NSC-28121 | 2-(3,4-Dichloro-benzyl)-isothiourea HCl | A22 hydrochloride | XAA81660 | 10P-080 | A 22 hydrochloride | S-(3,4-Dichlorobenzyl)Isothiourea HCl | amino[(3,4-dichlorobenzyl)sulfa

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

 MreB Perturbing Compound A22 hydrochloride is a reversible MreB inhibitor and antimicrobial agent that exhibits bacteriostatic activity against Escherichia coli, with low activity against Gram-positive bacteria. MreB Perturbing Compound A22 hydrochloride rapidly and reversally delocalizes MreB from the helical/circular structures in cells, impairs MreB function, and reduces the binding of MreB to the chromosomal region proximal to the replication origin. MreB Perturbing Compound A22 hydrochloride alters the cell morphology of caulobacters to round/lemon-shaped, slows caulobacter growth, blocks their cell division, and induces the formation of spherical morphology, asymmetric division, and anucleate cells in Escherichia coli. MreB Perturbing Compound A22 hydrochloride is used for studies related to bacterial rod-shaped morphology determination, chromosome segregation, and cell division mechanisms.

Specifications

Synonyms

A22 hydrochloride, >=95% (HPLC) | J-014869 | Z48820353 | NSC28121 | NSC-28121 | 2-(3,4-Dichloro-benzyl)-isothiourea HCl | A22 hydrochloride | XAA81660 | 10P-080 | A 22 hydrochloride | S-(3,4-Dichlorobenzyl)Isothiourea HCl | amino[(3,4-dichlorobenzyl)sulfa

Specifications & Purity

Moligand™,≥95%(HPLC)

Biochemical and Physiological Mechanisms

Primary Target：MreB；Product does not compete with ATP. Reversible: yes；

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1CSC(=N)N)Cl)Cl.Cl
• IUPAC Name: (3,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
• InChIKey: VBJNMXMOMSWRDV-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
• Isomeric SMILES: C1=CC(=C(C=C1CSC(=N)N)Cl)Cl.Cl
• WGK Germany: 3
• PubChem CID: 2830968
• Molecular Weight: 271.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Sulfenyl compounds Carboximidamides Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: water: 2 mg/mL, DMSO: 200 mg/mL
• Sensitivity: Moisture sensitive；Light sensitive；
• Molecular Weight: 271.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 269.955 Da
• Monoisotopic Mass: 269.955 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 189.000
• 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: 2

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