45964-97-4

Basic information

• Product Name: N-(4-CHLORO-PHENYL)-GUANIDINE
• Synonyms: N-(4-CHLORO-PHENYL)-GUANIDINE;2-(4-Chlorophenyl)guanidine;p-Chlorophenylguanidine;Guanidine, N-(4-chlorophenyl)-;Chlorhexidine Dihydrochloride impurity E
• CAS NO: 45964-97-4
• Molecular Formula: C₇H₈ClN₃
• Molecular Weight: 169.61
• Product Categories: Amines, Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 45964-97-4.mol
• Article Data: 6

Chemical Properties

• Melting Point: 121 °C
• Boiling Point: 265.6±42.0 °C(Predicted)
• Appearance: /
• Density: 1.36±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 10.67±0.10(Predicted)
• CAS DataBase Reference: N-(4-CHLORO-PHENYL)-GUANIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: N-(4-CHLORO-PHENYL)-GUANIDINE(45964-97-4)
• EPA Substance Registry System: N-(4-CHLORO-PHENYL)-GUANIDINE(45964-97-4)

Safety Data

• Hazardous Substances Data: 45964-97-4(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 45964-97-4 differently. You can refer to the following data:
1. N-(4-Chlorophenyl)guanidine is an reagent used in the synthesis of pyrimidine derivatives as hSMG-1 inhibitors, potential targets for cancer treatment.
2. 1-(4-chlorophenyl)guanidine can be used as new antibacterial agents.

Upstream product

• 13463-94-0 N-(4-chlorophenyl)cyanamide 
• 420-04-2 CYANAMID 
• 106-47-8 4-chloro-aniline 
• 15150-25-1 N-cyanobenzamide 
• 20265-96-7 p-chloroaniline hydrochloride 

Downstream Products

• 5429-13-0 N-(4-chloro-phenyl)-N'-(4-methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-guanidine 
• 855954-07-3 N-(4-chloro-phenyl)-N'-(6-methyl-2-oxo-1,2-dihydro-pyrimidin-4-yl)-guanidine 
• 6712-59-0 5-(4-chloro-phenyl)-1-isopropyl-1-methyl-biguanide 
• 5442-06-8 1,1-diethyl-5-(4-chloro-phenyl)-biguanide 
• 500-92-5 proguanil 
• 60221-93-4 N¹-p-Chlorphenyl-N⁵-ethylbiguanid 
• 13463-94-0 N-(4-chlorophenyl)cyanamide 
• 106-47-8 4-chloro-aniline 
• 140-38-5 N-(4-chlorophenyl)urea 
• 87215-95-0 5,5-diethyl-2-(4-chloro-anilino)-1H-pyrimidine-4,6-dione 
• 109810-06-2 (4-chloro-phenylcarbamimidoyl)-amidophosphoric acid diphenyl ester 
• 13590-88-0 1,5-bis-(4-chloro-phenyl)-biguanide 
• 1383539-77-2 C₁₇H₁₇ClN₄O 
• 1403963-24-5 (E)-ethyl 3-(5-chloro-2-guanidinophenyl)acrylate hydrochloride 

Relevant articles and documents

Synthesis and SAR of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as potent and selective CDK4/6 inhibitors

CDK4/6 pathway is an attractive target for development of anti-cancer drugs. Herein, we reported the design and synthesis of a series of 4,5-dihydro-1H-pyrazolo [4,3-h]quinazoline derivatives as selective CDK4/6 inhibitors. Applied with the optimizing strategy to the initial scaffold, it is found that compound 13n is able to selectively inhibit CDK4 and CDK6 with IC50 values 0.01 and 0.026 μM, respectively. The compound showed good anti-proliferative activity when tested in a panel of tumor cell lines with CDK4/6 related mechanism of action, the results clearly suggest that compound 13n works much better than Ly2385219 which is a selective CDK4/6 inhibitor. This compound was also found to have favorable pharmacokinetic parameters. Taken together, compound 13n could be selected for further preclinical evaluation.

Design and synthesis of a novel series of N,4-diphenylpyrimidin-2-amine derivatives as potent and selective PI3Kγ inhibitors

Due to the increasing evidence linking the PI3Kγ pathway to various disease states, PI3Kγ is becoming an important target for cancer treatment. Herein we designed and synthesized a novel series of N,4-diphenylpyrimidin-2-amine derivatives with low CDOCKER-INTERACTION-ENERGY and then evaluated their PI3Kγ in vitro inhibitory activities and in vitro antiproliferation assays against four human cancer cells. Among the compounds we synthesized, compound C8 (IC50 = 65 nM) demonstrated the most potent inhibitory activity against PI3Kγ kinase as well as at the cellular level, compared to the control drug TG100713 (IC50 = 127 nM). Moreover, molecular docking analysis was also performed to determine possible binding modes between PI3Kγ and the target compounds.

Palladium-catalyzed C-H functionalization using guanidine as a directing group: Ortho arylation and olefination of arylguanidines

Palladium-catalyzed C-H functionalization using guanidine as the directing group was achieved under mild reaction conditions. Various guanidine derivatives were produced in moderate to good yields by using simple unactivated arenes or ethyl acrylate as the source of arylation or olefination, respectively.