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1-(2-Chloroethyl)-4-Methylpiperazine, a chemical compound with the molecular formula C7H15ClN2, is a piperazine derivative featuring a chloroethyl group and a methyl group. This unique chemical structure and reactivity make it a promising candidate for various applications in the fields of pharmaceuticals, organic synthesis, and medicinal chemistry.

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  • 39123-20-1 Structure
  • Basic information

    1. Product Name: 1-(2-Chloroethyl)-4-Methylpiperazine
    2. Synonyms: 1-(4-Methyl-1-piperazinyl)-2-chloroethane;2-(4-methylpiperazinyl)benzoic acid
    3. CAS NO:39123-20-1
    4. Molecular Formula: C7H15ClN2
    5. Molecular Weight: 162.6604
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 39123-20-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-(2-Chloroethyl)-4-Methylpiperazine(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(2-Chloroethyl)-4-Methylpiperazine(39123-20-1)
    11. EPA Substance Registry System: 1-(2-Chloroethyl)-4-Methylpiperazine(39123-20-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 39123-20-1(Hazardous Substances Data)

39123-20-1 Usage

Uses

Used in Pharmaceutical Industry:
1-(2-Chloroethyl)-4-Methylpiperazine is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic effects.
Used in Organic Synthesis:
As a versatile building block, 1-(2-Chloroethyl)-4-Methylpiperazine is used in organic synthesis to create a variety of organic compounds, leveraging its reactivity and functional groups.
Used in Pesticide Production:
1-(2-Chloroethyl)-4-Methylpiperazine serves as a precursor in the production of certain pesticides, where its chemical properties are utilized to enhance the effectiveness of these agricultural chemicals.
Used in Medicinal Chemistry and Drug Development:
Due to its unique structure, 1-(2-Chloroethyl)-4-Methylpiperazine may have potential applications in medicinal chemistry and drug development, where it could be explored for its possible role in creating novel therapeutic agents.
It is crucial to handle 1-(2-Chloroethyl)-4-Methylpiperazine with care, as it may pose health risks if not used properly, highlighting the need for safety measures during its application in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 39123-20-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,1,2 and 3 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 39123-20:
(7*3)+(6*9)+(5*1)+(4*2)+(3*3)+(2*2)+(1*0)=101
101 % 10 = 1
So 39123-20-1 is a valid CAS Registry Number.

39123-20-1Relevant articles and documents

In silico/in vitro screening and hit evaluation identified new phenothiazine anti-prion derivatives

Bolognesi, Maria Laura,Carloni, Paolo,Colini Baldeschi, Arianna,Gandini, Annachiara,Legname, Giuseppe,Rossetti, Giulia,Salzano, Giulia,Tran, Thanh Hoa,Zaccagnini, Ludovica

supporting information, (2020/04/21)

Prion diseases or transmissible spongiform encephalopathies (TSEs) are a group of rare neurodegenerative disorders. TSEs are characterized by the accumulation of prions (PrPSc) that represent pathological isoforms of the physiological cellular prion protein PrPC. Although the conversion of PrPC to PrPSc is still not completely understood, blocking this process may lead to develop new therapies. Here, we have generated a pharmacophore model, based on anti-prion molecules reported in literature to be effective in phenotypic assay. The model was used to conduct a virtual screen of commercial compound databases that selected a small library of ten compounds. These molecules were then screened in mouse neuroblastoma cell line chronically infected with prions (ScN2a) after excluding neurotoxicity. 1 has been identified as the therapeutic hit on the basis of the following evidence: chronic treatments of ScN2a cells using 1 eliminate PrPSc loaded in both Western blotting analysis and Real-Time Quaking-Induced Conversion (RT-QuIC) assay. We also proposed the mechanism of action of 1 by which it has the ability to bind PrPC and consequentially blocks prion conversion. Herein we describe the results of these efforts.

TRICYCLIC HETEROCYCLIC DERIVATIVES AND USES THEREOF

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Page/Page column 156, (2018/05/24)

Disclosed are tricyclic heterocyclic compounds having kinase inhibitory activity, pharmaceutical compositions and kits comprising the compounds, and use of the compounds in the treatment of or in medicaments for the treatment of various diseases and conditions. In particular, disclosed are tricyclic heterocyclic compounds of the formula (I) having CSF-1R (c-FMS kinase) inhibitory activity and their use in the treatment of various diseases and conditions, such as those mediated by CSF-1R, including proliferative or neoplastic diseases and conditions, including cancers, and bone, inflammatory, and autoimmune diseases and conditions.

Design, Synthesis, and Biological Evaluation of Scutellarein Derivatives Based on Scutellarin Metabolic Mechanism in Vivo

Dong, Ze-Xi,Shi, Zhi-Hao,Li, Nian-Guang,Zhang, Wei,Gu, Ting,Zhang, Peng-Xuan,Wu, Wen-Yu,Tang, Yu-Ping,Fang, Fang,Xue, Xin,Li, He-Min,Cheng, Hai-Bo,Yang, Jian-Ping,Duan, Jin-Ao

, p. 946 - 957 (2016/05/24)

Three series of scutellarein derivatives have been designed and synthesized based on metabolic mechanism of scutellarin (1) in vivo. Their thrombin inhibition activities were tested through the analyzation of prothrombin time (PT), activated partial thromboplastin time (APTT), thrombin time (TT), and fibrinogen (FIB). The antioxidant activities of these target products were assessed by 1,1-diphenyl-2-picrylhydrazyl radical (DPPH) assay and the ability to protect PC12 cells against H2O2-induced cytotoxicity, and their solubilities were evaluated by ultraviolet (UV) spectrophotometer. The results showed that the two isopropyl groups substituted derivative (18c) demonstrated stronger anticoagulant activity, better water solubility, and good antioxidant activity compared with scutellarein (2), which warrants further development of 18c as a promising agent for ischemic cerebrovascular disease treatment. Three series of scutellarein derivatives have been designed and synthesized based on metabolic mechanism of scutellarin (1) in vivo. The results of the biological evaluation showed that the two isopropyl groups substituted derivative (18c) demonstrated stronger anticoagulant activity, better water solubility, and good antioxidant activity compared with scutellarein (2), which warrants further development of 18c as a promising agent for ischemic cerebrovascular disease treatment.

HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF

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Paragraph 0369; 0371, (2016/04/20)

The present disclosure relates to heterocycle substituted amino-pyridine compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANTIVIRAL DRUGS

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Page/Page column 188, (2013/12/03)

The present invention relates to a compound of the following formula (I), or a salt, solvate, tautomer, enantiomer, diastereoisomer or racemic mixture thereof: as well as its use as a drug, notably in the treatment of hepatitis C, its preparation process, and the pharmaceutical compositions containing such a compound.

TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE

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Page/Page column 32, (2008/06/13)

The present invention relates to nordihydroguaiaretic acid derivative compounds, namely, butane bridge modified nordihydroguaiaretic acid (NDGA) compounds and butane bridge modified tetra-O-substituted NDGA compounds, pharmaceutical compositions containing them, methods of making them, and methods of using them and kits including them for the treatment of diseases and disorders, in particular, diseases resulting from or associated with a virus infection, such as HIV infection, HPV infection, or HSV infection, an inflammatory disease, such as various types of arthritis and inflammatory bowel diseases, metabolic diseases, such as diabetes and hypertension, or a proliferative disease, such as diverse types of cancers.

Microwave-assisted solvent-free synthesis of 3-[(4-substituted piperazin-1-yl)alkyl] imidazo[2,1-b][1,3]benzothiazol-2(3H)-ones as serotonin3 (5-HT3) receptor antagonists

Mahesh,Venkatesha Perumal,Pandi

, p. 411 - 414 (2007/10/03)

A series of novel 3-[(4-substituted piperazin-1-yl)alkyl]imidazo[2,1-b][1, 3]benzothiazol-2(3H)-ones were prepared by microwave irradiation using alumina as solid support and also by a conventional method. The compounds were characterized by spectral data and the purity was ascertained by microanalysis. The synthesized compounds were evaluated for 5-hydroxytryptamine3 antagonisms in a longitudinal muscle-myenteric plexus preparation from guinea pig ileum against the 5-hydroxytryptamine3 agonist, 2-methyl-5-hydroxytryptamine. Among the test compounds, 3-[2-(4-methylpiperazin- 1-yl)ethyl]imidazo[2,1-6][1,3]benzothiazol-2(3H)-one (3b) showed most favorable 5-hydroxytryptamine3 antagonism (pA2 6.7) in the isolated guinea pig ileum.

Synthesis of novel succinamide derivatives having the 5,11-dihydro-6h- pyrido[2,3-b][1,4]benzodiazepin-6-one skeleton as potent and selective M2 muscarinic receptor antagonists. I

Watanabe, Toshihiro,Kinoyama, Isao,Kakefuda, Akio,Okazaki, Toshio,Takizawa, Kenji,Hirano, Seiko,Shibata, Hiroshi,Yanagisawa, Isao

, p. 996 - 1007 (2007/10/03)

A series of 5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one derivatives containing the succinamide skeleton has been synthesized and evaluated for M1, M2 and M3 muscarinic receptor binding affinities (in vitro) and M2 and M3 muscarinic receptor antagonistic activities (in vivo). Some of them showed higher and more selective binding affinities for M2 muscarinic receptors than that of AF-DX 116. Among them, 11-[3-[N-[2-(N- benzyl-N-methylamino)ethyl]-N-ethylearbamoyl]propionyl]-5,11-dihydro-6H- pyrido[2,3-b][1,4]benzodiazepin-6-one (68) was found to be the most potent and selective M2 muscarinic receptor antagonist in vitro. This compound also strongly inhibited the oxotremorine-induced bradycardia after intravenous administration and showed 130-fold selectivity for M2 muscarinic receptors over M3 muscarinic receptors in vivo.

Synthesis and biological activity of benzotriazole derivatives structurally related to trazodone

Caliendo, G.,Carlo, R. Di,Greco, G.,Meli, R.,Novellino, E.,et al.

, p. 77 - 84 (2007/10/02)

This paper outlines the synthesis and the pharmacological screening of a series of novel 1- and 2-ethyl>benzotriazoles and 1-propoxy>benzotriazoles, which are structurally related to trazodone.Antiserotonergic, antiadrenergic and antihistaminic in vitro activity and in vivo analgesic action are described.Some of the investigated compounds show overall pharmacological profiles similar to that of the antidepressant trazodone. benzotriazole / antiserotonergic activity / antiadrenergic activity / antihistaminic activity / analgesic activity

2-thiomethyl-substituted-1,4-dihydropyridines, method for their preparation and pharmaceutical compositions containing them

-

, (2008/06/13)

Compounds of formula I STR1 wherein R1 is an alkoxycarbonyl group, acetyl, benzoyl, cyano, nitro or aminocarbonyl; R2 is an optionally substituted aryl or hetaryl group; R3 is an alkoxycarbonyl group; φ is a thio residue such as alkylthio, cycloalkylthio, arylthio, heteroarylthio, aminoalkylthio, are described. Compounds I are useful in human therapy as antihypertensive, antiulcer, antithrombotic, antiischaemic agents.

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