2113-05-5

Basic information

• Product Name: 1-(3-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE
• Synonyms: {[(3-Chloroanilino)(imino)methyl]amino}methanimidamide hydrochloride, N-(3-Chlorophenyl)imidodicarbonimidic diamide hydrochloride;2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine,hydrochloride;1-(m-chlorophenyl)-biguanidmonohydrochloride;n-(3-chlorophenyl)-imidodicarbonimidicdiamidemonohydrochloride;N-(3-CHLOROPHENYL)IMIDODICARBONIMIDIC DIAMIDE HYDROCHLORIDE;1-(M-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE;1-(3-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE;M-CPBG HYDROCHLORIDE
• CAS NO: 2113-05-5
• Molecular Formula: C₈H₁₀ClN₅*ClH
• Molecular Weight: 248.11
• Product Categories: Serotonin receptor
• Mol File: 2113-05-5.mol

Chemical Properties

• Melting Point: 190-194 °C(lit.)
• Boiling Point: 434.1°Cat760mmHg
• Flash Point: 216.3°C
• Appearance: white/solid
• Density: 1.49g/cm³
• Vapor Pressure: 9.74E-08mmHg at 25°C
• Storage Temp.: Desiccate at RT
• Solubility: H2O: soluble
• Sensitive: Hygroscopic
• CAS DataBase Reference: 1-(3-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE(2113-05-5)
• EPA Substance Registry System: 1-(3-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE(2113-05-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: DU1780000
• Hazardous Substances Data: 2113-05-5(Hazardous Substances Data)

Usage

Uses

Specific agonist for 5-HT receptor

Biological Activity

Prototypical potent and selective 5-HT 3 receptor agonist.

InChI:InChI=1/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)/p+2

Upstream product

• 127099-85-8 N-Cyanoguanidine 
• 108-42-9 3-chloro-aniline 

Downstream Products

• 52632-39-0 N-carbamimidoyl-N'-(3-chloro-phenyl)-urea 
• 108-42-9 3-chloro-aniline 
• 1931-19-7 4,6-diamino-1-(3'-chlorophenyl)-1,2-dihydro-2,2-dimethyl-1,3,5-triazine 
• 1194506-57-4 N₂-(3-chloro-phenyl)-6-methyl-1,3,5-triazine-2,4-diamine 

Relevant articles and documents

Synthesis and in vitro evaluation of 2,4-diamino-1,3,5-triazine derivatives as neuronal voltage-gated sodium channel blockers

Neuronal sodium channels blockers interfere with ion flux and have been used for managing neuropathic pain, epilepsy, and cerebral ischemic disorders. In the current study, four groups of 2,4-diamino-1,3,5-triazine derivatives were synthesized and investigated for their neuronal sodium channels binding activity. 5-Aryl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamines (4a-4j) were found to have the best neuronal sodium binding activity among the four groups of triazines evaluated. Derivatives 4a-4j blocked the sodium channels with IC50 values ranged from 4.0 to 14.7 μM. The result from this study showed that analogues of 2,4-diamino-1,3,5-triazines could be used as leads for the discovery of neuronal sodium channels blockers for managing central nervous system related disorders.