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2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one hydrochloride is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

100595-96-8

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100595-96-8 Usage

Chemical structure

The compound contains a phenylpropenone structure, with a dimethylamino group attached to the alpha carbon, and a methyl group at the beta carbon.

Physical form

It is a yellow crystalline powder.

Salt form

The hydrochloride salt form is commonly used for its increased stability and solubility in water.

Uses

It is commonly used as a reagent in organic synthesis and as a precursor in the preparation of pharmaceuticals and other organic compounds.

Versatility

It has potential applications in the fields of medicinal chemistry, pharmacology, and chemical research.

Hazards

It is a potentially hazardous chemical that can cause irritation to the skin, eyes, and respiratory system, and may be harmful if ingested or inhaled. It is important to handle 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one hydrochloride with caution.

Check Digit Verification of cas no

The CAS Registry Mumber 100595-96-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,5,9 and 5 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 100595-96:
(8*1)+(7*0)+(6*0)+(5*5)+(4*9)+(3*5)+(2*9)+(1*6)=108
108 % 10 = 8
So 100595-96-8 is a valid CAS Registry Number.

100595-96-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one,hydrochloride

1.2 Other means of identification

Product number -
Other names 1-phenyl-2-(dimethylaminomethyl)prop-2-en-1-one hydrochloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:100595-96-8 SDS

100595-96-8Relevant academic research and scientific papers

1-Aryl-2-dimethylaminomethyl-2-propen-1-one hydrochlorides and related adducts: A quest for selective cytotoxicity for malignant cells

Pati, Hari N.,Das, Umashankar,Kawase, Masami,Sakagami, Hiroshi,Balzarini, Jan,De Clercq, Erik,Dimmock, Jonathan R.

, p. 5747 - 5753 (2008)

The primary objective of this study was to discover one or more clusters of compounds which are not equitoxic but display cytoselectivity toward different malignant cells. Furthermore a most important consideration is that such molecules should also displ

A facile one-pot synthesis of 1-aryl-2-(dimethylaminomethyl)prop-2-en- 1-ones from aryl methyl ketones

Girreser, Ulrich,Heber, Dieter,Schütt, Martin

, p. 715 - 717 (1998)

A generally applicable synthesis of 1-aryl-2-(dimethylaminomethyl)prop- 2-en-1-ones 2 involving reaction of aromatic methyl ketones 1 with paraformaldehyde and dimethylamine in dimethylformamide is described. The majority of experiments were conducted wit

Synthesis, antifungal and antimycobacterial activities of new bis-imidazole derivatives, and prediction of their binding to P45014DM by molecular docking and MM/PBSA method

Zampieri, Daniele,Mamolo, Maria Grazia,Vio, Luciano,Banfi, Elena,Scialino, Giuditta,Fermeglia, Maurizio,Ferrone, Marco,Pricl, Sabrina

, p. 7444 - 7458 (2007)

New bis-imidazole derivatives have been synthesized and their antifungal and antimycobacterial activity was determined. Almost all compounds exhibited a moderate to good activity against two clinical isolates of Candida albicans 3038 and Candida glabrata

Structure-activity relationships of novel dithiocarbamates containing α,β-unsaturated ketone fragment as potent anticancer agents

Wang, Yuanqiang,Li, Ridong,Zhang, Han,Zhang, Zhiyong,Wang, Xin,Ge, Zemei,Li, Runtao

, p. 1027 - 1038 (2019/05/21)

Based on the structure of novel lead compound 8 discovered by our group, systematic structural modification was carried out. A series of compound 8’s derivatives were synthesized and evaluated for their activities against human non-small cell lung cancer cell line H460. Among them, twelve compounds showed significant proliferation inhibition activities with IC50 values 50 values 50 values of 12r achieved 63 nM and 66 nM, respectively. Meanwhile, our research results also revealed the following structure-activity relationships: (a) different substitutions on the benzene ring or heteroaromatic rings greatly effect on the activity; (b) the presence of α,β-unsaturated ketone fragment is favorable for the activity; (c) the receptor cavity binding with amine moiety might be a relatively small hydrophobic cavity. These results will be valuable for the further development of this novel kind of dithiocarbamates.

Synthesis, characterization and no synthase inhibition testing of 2-aryl-5-aroyl-3,4,5,6-tetrahydropyrimidinium chlorides

Bluhm, Ullvi,Boucher, Jean-Luc,Clement, Bernd,Girreser, Ulrich,Heber, Dieter,Ramassamy, Booma,Wolschendorf, Ulrich

, p. 24 - 39 (2015/01/30)

Aryl methyl ketones can be easily converted to 1-aryl-2-dimethylaminomethylpropenones that are known as interesting lead structures for drug development. By reaction of these enone Mannich bases with benzamidines, a series of new 2-aryl-5-aroyl-3,4,5,6-te

Discovery and optimization of novel dual dithiocarbamates as potent anticancer agents

Li, Ri-Dong,Wang, Hui-Ling,Li, Ying-Bo,Wang, Zhong-Qing,Wang, Xin,Wang, Yi-Tao,Ge, Ze-Mei,Li, Run-Tao

, p. 381 - 391 (2015/03/04)

A series of dual dithiocarbamates were synthesized and evaluated for their in-vitro anticancer activities on human non-small cell lung cancer cell line H460. Nine compounds exhibited significant antiproliferative activities with IC50 less than 1 μM. Among them, compound 14m showed the highest inhibitory activity against H460 cell and inhibited the growth of nine types of tumor cells with IC50 values less than 1 μM. It also achieved IC50 of 54 nM and 23 nM against HepG2 and MCF-7 cell lines, respectively. Preliminary structure-activity relationship study indicated that: a) when the methyl group (region A) is substituted with benzene rings, ortho substitution on the benzene ring is favored for activity; b) substitution with heterocyclic structures at region A exhibited greater impact on the anti-tumor activity of compounds, in which pyridine ring, thiazole ring, coumarin and benzo[b]thiophene are favored and quinoline ring is the most favored; c) substitution with different amines (region B) also showed marked effect on the activity of compounds and dimethylamine and morpholine are preferred to other tested amines.

Synthesis and antifungal evaluation of 1-aryl-2-dimethylaminomethyl-2- propen-1-one hydrochlorides

Mete, Ebru,Gul, Halise Inci,Bilginer, Sinan,Algul, Oztekin,Topaloglu, Mehmet Emin,Gulluce, Medine,Kazaz, Cavit

experimental part, p. 4660 - 4671 (2011/08/10)

The development of resistance to current antifungal therapeutics drives the search for new effective agents. The fact that several acetophenone-derived Mannich bases had shown remarkable antifungal activities in our previous studies led us to design and s

Synthesis and evaluation of pyrido[1,2-a]pyrimidines as inhibitors of nitric oxide synthases

Bluhm, Ullvi,Boucher, Jean-Luc,Buss, Uwe,Clement, Bernd,Friedrich, Friederike,Girreser, Ulrich,Heber, Dieter,Lam, Thanh,Lepoivre, Michel,Rostaie-Gerylow, Mojgan,Wolschendorf, Ulrich

body text, p. 2877 - 2887 (2009/10/10)

A series of new 3-aroylpyrido[1,2-a]pyrimidines were synthesized from aryl methyl ketones in a simple two-step procedure and evaluated as nitric oxide synthases (NOS) inhibitors. In order to perform a structure-activity relationship study, different aroyl

α-substituted 1-aryl-3-dimethylaminopropanone hydrochlorides: Potent cytotoxins towards human WiDr colon cancer cells

Pati, Hari Narayan,Das, Umashankar,Ramirez-Erosa, Irving Javier,Dunlop, Donna Mae,Hickie, Robert Allan,Dimmock, Jonathan Richard

, p. 511 - 515 (2008/02/09)

A series of 1-aryl-2-dimethylaminomethyl-2-propenone hydrochlorides 1 were prepared which possessed IC50 values of less than 10 μM when examined towards human WiDr colon cancer cells. The related 1-aryl-2- dimethylaminomethyl-3-hydroxypropanone

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