10429-82-0

Basic information

• Product Name: N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE
• Synonyms: n,n-bis(2-chloroethyl)-benzylaminhydrochloride;BUTTPARK 146\50-40;N-BENZYL-N,N-BIS(2-CHLOROETHYL)AMINE HCL;N-BENZYL-N,N-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE;N-BENZYL-N,N-DI(2-CHLOROETHYL)AMINE HYDROCHLORIDE;N-BENZYL-BIS(2-CHLOROETHYL)AMINE HCL;N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE;N-BENZYL-2-CHLORO-N-(2-CHLOROETHYL)-1-ETHANAMINIUM CHLORIDE
• CAS NO: 10429-82-0
• Molecular Formula: C₁₁H₁₅Cl₂N*ClH
• Molecular Weight: 268.61
• Product Categories: pharmacetical
• Mol File: 10429-82-0.mol

Chemical Properties

• Melting Point: 134-136°
• Boiling Point: 242.6 °C at 760 mmHg
• Flash Point: 100.5 °C
• Appearance: /
• Vapor Pressure: 0.02mmHg at 25°C
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility: Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
• Stability: Hygroscopic
• CAS DataBase Reference: N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE(10429-82-0)
• EPA Substance Registry System: N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE(10429-82-0)

Safety Data

• Hazard Codes: Xi
• RIDADR: UN2923
• HazardClass: IRRITANT
• Hazardous Substances Data: 10429-82-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE is used as a chemical intermediate for the preparation of RSV F protein inhibitors, which are essential in the development of antiviral drugs targeting respiratory syncytial virus (RSV) infections. Its role in the synthesis process is crucial for creating effective therapeutic agents to combat this viral disease.

InChI:InChI=1/C11H21Cl2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h11H,1-10H2/p+1

Upstream product

• 101-32-6 N-benzyl-diethanolamine 
• 100-39-0 benzyl bromide 

Downstream Products

• 2159-62-8 N-Benzyl-bis-<2-(4-hydroxy-butyloxy)-aethyl>-amin 
• 139495-91-3 7-(4-benzyl-1-piperazinyl)-8-fluoro-2,5-dihydro-1H-pyrimido<4,5-b>indol-1-one 
• 752965-91-6 1-Benzyl-4-(pyridin-3-yl)piperidine-4-carbonitrile 
• 109254-16-2 1-benzyl-4-(3-methoxy-phenyl)-piperidine-4-carbonitrile 
• 192069-85-5 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile 
• 751462-82-5 1-benzyl-4-(pyridin-4-yl)piperidine-4-carbonitrile 
• 212770-54-2 4-(4-methoxy-benzenesulfonyl)-1-benzyl-piperidine-4-carboxylic acid ethyl ester 
• 212770-94-0 1-benzyl-4-(4-butoxy-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester 
• 239797-52-5 1-benzyl-4-[4-(3-methylbutoxy)benzenesulfonyl]piperidine-4-carboxylic acid ethyl ester 
• 239797-30-9 4-(4-benzyloxybenzenesulfonyl)-1-benzylpiperidine-4-carboxylic acid ethyl ester 
• 239797-58-1 1-benzyl-4-[4-(2-ethylbutoxy)benzenesulfonyl]piperidine-4-carboxylic acid ethyl ester 
• 239797-48-9 1-benzyl-4-[4-(4-chlorophenoxy)benzenesulfonyl]piperidine-4-carboxylic acid ethyl ester 
• 80476-91-1 1-benzyl-4-(4-chloro-benzhydryl)-piperazine 
• 7647-14-5 sodium chloride 

Relevant articles and documents

Preparation method of 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride

The invention relates to the technical field of organic synthesis, in particular to a preparation method of 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride. The preparation method disclosed by the invention comprises the following steps of: (1) preparing benzyl diethanolamine by taking benzyl chloride and diethanolamine as raw materials; (2) preparing benzyl dichloroethylamine hydrochloride by taking benzyl diethanolamine and thionyl chloride as raw materials; and (3) preparing the 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride by taking the benzyl dichloroethylamine hydrochloride and the benzyl cyanide as raw materials. The preparation method disclosed by the invention is simple in process and suitable for industrial production, the HPLC content of the finally obtained 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride is greater than or equal to 98.0%, the total yield (based on diethanolamine) is greater than or equal to 89%, and the 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride has a very good market prospect.

Propionamide Derivatives as Dual μ-Opioid Receptor Agonists and σ1Receptor Antagonists for the Treatment of Pain

A new series of propionamide derivatives was developed as dual μ-opioid receptor agonists and σ1receptor antagonists. Modification of a high-throughput screening hit originated a series of piperazinylcycloalkylmethyl propionamides, which were e

SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN

The present invention relates to substituted amide derivatives of formula (I) having dual pharmacological activity towards both the sigma (σ) receptor, and the p-opioid receptor, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.

Integrating docking scores, interaction profiles and molecular descriptors to improve the accuracy of molecular docking: Toward the discovery of novel Akt1 inhibitors

A set of forty-seven Akt1 inhibitors was used for the development of molecular docking based QSAR model by using nonlinear regression. The integration of docking scores, key interaction profiles and molecular descriptors remarkably improved the accuracy of the QSAR models, providing reasonable statistical parameters (Rtrain2 = 0.948, R test2 = 0.907 and Qcv2 = 0.794). The established MD-SVR model based structural modification of new 4-amino-pyrimidine derivatives was further performed, and six compounds 56a,b and 60a-d with good prediction activities were synthesized and biologically evaluated. All of these compounds exhibited promising Akt1 inhibitory and antiproliferative activities, suggesting the reliability and good application value of the established MD-SVR model in the development of Akt1 inhibitors.

SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE

The present invention relates to novel benzimidazolone derivatives of the general formula (I) in which the substituents R1, R2, R3, A1, A2, and B are as defined in claim 1, medicaments comprising these, and the use thereof for the prophylaxis and/or treatment of vasopressin-dependent diseases.

NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS

The present invention relates to new compounds of formula (I) possessing agonistic activity at sphingosine-1 -phosphate (S1 P) receptors, their process of preparation and their use as immunosuppressive agents. The invention is also directed to pharmaceutical compositions containing these compounds and use of these compounds for treatment/prevention of immune mediated diseases and conditions or inflammatory diseases and conditions.

Synthesis and structure - Activity relationship of N-substituted 4-arylsulfonylpiperidine-4-hydroxamic acids as novel, orally active matrix metalloproteinase inhibitors for the treatment of osteoarthritis

The matrix metalloproteinases (MMPs) are a family of zinc-containing endopeptidases that play a key role in both physiological and pathological tissue degradation. In our preceding paper, we have reported on a series of novel and orally active N-hydroxy-α-phenylsulfonylacetamide derivatives. However, these compounds had two drawbacks (moderate selectivity and chirality issues). To circumvent these two problems, a series of novel and orally active N-substituted 4-benzenesulfonylpiperidine-4-carboxylic acid hydroxyamide derivatives have been synthesized. The present paper deals with the synthesis and SAR of these compounds. Among the several compounds synthesized, derivative 55 turned out to be a potent, selective, and an orally active MMP inhibitor in the clinically relevant advanced rabbit osteoarthritis model. Detailed pharmacokinetics and metabolism data are described.

N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS

Matrix metalloproteinases (MMPs) are a group of enzymes that have been implicated in the pathological destruction of connective tissue and basement membranes. These zinc containing endopeptidases consist of several subsets of enzymes including collagenases, stromelysins and gelatinases. TNF- alpha converting enzymes (TACE), a pro-inflammatory cytokine, catalyze the formation of TNF- alpha from membrane-bound TNF- alpha precursor protein. It is expected that small molecule inhibitors of MMPs and TACE therefore have the potential for treating a variety of disease states. The present invention provides low molecular weight, non-peptide inhibitors of matrix metalloproteinases (MMPs) and TNF- alpha converting enzyme (TACE) for the treatment of arthritis, tumor metastasis, tissue ulceration, abnormal wound healing, periodontal disease, bone disease, diabetes (insulin resistance) and HIV infection. The compounds of this invention are represented by formula (I), where R, R, R and R are described herein.

N-hydroxy-2-(Alkyl,Aryl or Heteroaryl sulfanyl, sulfinyl or sulfonyl) 3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors

Matrix metalloproteinases (MMps) are a group of enzymes that have been implicated in the pathological destruction of connective tissue and basement membranes. These zinc containing endopeptidases consist of several subsets of enzymes including collagenases, stromelysins and gelatinases. TNF-α converting enzyme (TACE), a pro-inflammatory cytokine, catalyzes the formation of TNF-α from membrane bound TNF-α precursor protein. It is expected that small molecule inhibitors of MMPs and TACE therefore have the potential for treating a variety of disease states. The present invention provides low molecular weight, non-peptide inhibitors of matrix metalloproteinases (MMPs) and TNF-α converting enzyme (TACE) for the treatment of arthritis, tumor metastasis, tissue ulceration, abnormal wound healing, periodontal disease, bone disease, diabetes (insulin resistance) and HIV infection. The compounds of this invention are represented by the formula where R1, R2, R3and R4are described herein.

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