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4H-3,1-Benzoxazin-4-one,2-(chloromethyl)-(6CI,9CI), also known as 2-(Chloromethyl)-4H-3,1-benzoxazin-4-one, is a chemical compound with a unique structure that features a benzoxazinone core and a chloromethyl group. 4H-3,1-Benzoxazin-4-one,2-(chloromethyl)-(6CI,9CI) is known for its potential applications in various fields due to its chemical properties.

98592-35-9

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98592-35-9 Usage

Uses

Used in Pharmaceutical Industry:
4H-3,1-Benzoxazin-4-one,2-(chloromethyl)-(6CI,9CI) is used as a reactant in the preparation of chloromethyl phenyldiazenylthioxodihydropyrimidinylquinazolinones. These complex molecules exhibit antimicrobial and antioxidant activity, making them valuable in the development of new drugs and therapies to combat infections and oxidative stress-related diseases.
Used in Chemical Synthesis:
In the field of chemical synthesis, 4H-3,1-Benzoxazin-4-one,2-(chloromethyl)-(6CI,9CI) serves as an important intermediate for the creation of various organic compounds. Its unique structure allows for the formation of new chemical bonds and the synthesis of novel molecules with potential applications in different industries.
Used in Research and Development:
4H-3,1-Benzoxazin-4-one,2-(chloromethyl)-(6CI,9CI) is also utilized in research and development settings to study its chemical properties and explore its potential applications. Scientists and researchers investigate its reactivity, stability, and interactions with other compounds to gain insights into its possible uses and to develop new methods for its synthesis and application.

Check Digit Verification of cas no

The CAS Registry Mumber 98592-35-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,8,5,9 and 2 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 98592-35:
(7*9)+(6*8)+(5*5)+(4*9)+(3*2)+(2*3)+(1*5)=189
189 % 10 = 9
So 98592-35-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H6ClNO2/c10-5-8-11-7-4-2-1-3-6(7)9(12)13-8/h1-4H,5H2

98592-35-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(chloromethyl)-3,1-benzoxazin-4-one

1.2 Other means of identification

Product number -
Other names 2-chloromethyl-3,1-benzoxazin-4-one

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:98592-35-9 SDS

98592-35-9Relevant academic research and scientific papers

Design, Synthesis, and Biological Evaluation of Novel Quinazoline Clubbed Thiazoline Derivatives

Ali, Zulphikar,Akhtar, Md J.,Siddiqui, Anees A.,Khan, Ahsan A.,Haider, Md R.,Yar, Mohammad S.

, (2017)

A novel series of quinazoline clubbed thiazoline derivatives was rationally designed and synthesized. The newly synthesized compounds were evaluated for in vitro dipeptidyl peptidase IV (DPP-4) inhibitory activity. Compounds that showed good to moderate a

2-(Chloromethyl)-3-phenylquinazolin-4(3H)-ones as potent anticancer agents; cytotoxicity, molecular docking and in silico studies

Emami, Leila,Faghih, Zeinab,Khabnadideh, Soghra,Rezaei, Zahra,Sabet, Razieh,Harigh, Ebrahim,Faghih, Zahra

, p. 1877 - 1889 (2021/02/27)

Abstract: In order to show antiproliferation and cancerous cell growth inhibition of quinazoline derivatives, a series of 2-(chloromethyl)-3-phenylquinazolin-4(3H)-ones (H1–H11) were synthesized. In vitro cytotoxic activities were evaluated against three human cancer cell lines: A549, MCF-7 and SW1116 using colorimetric MTT assay. Comparing their effects together and with cisplatin as a positive control indicated that H3, H5 and H6 exhibited better antitumor activities on A549 cell line with IC50 values less than 10?μM versus 12?μM for cisplatin. In the case of MCF-7 and SW1116 cell lines, almost all compounds displayed better cytotoxic activities than cisplatin. Molecular docking studies were applied on epidermal growth factor receptor (EGFR) as the main target of quinazoline scaffolds in cancer therapy to predict the binding energies, binding modes and orientation of these ligands toward the active site of the receptor. In silico physicochemical parameters and ADMET profiling calculations also were done. All compounds showed lower binding energies than erlotinib, the inhibitor of EGFR. Taken together, our findings showed potential anticancer effect of quinazoline compounds bearing various phenyl ring substitutions. Graphic abstract: [Figure not available: see fulltext.]

Design, synthesis, molecular simulation, and biological activities of novel quinazolinone-pyrimidine hybrid derivatives as dipeptidyl peptidase-4 inhibitors and anticancer agents

Emami, Leila,Faghih, Zahra,Sakhteman, Amirhossein,Rezaei, Zahra,Faghih, Zeinab,Salehi, Farnaz,Khabnadideh, Soghra

, p. 19515 - 19531 (2020/12/05)

Two novel series of quinazolinone-pyrimidine (series a: 9a-9i) and benzyl-pyrimidine hybrids (series b: 12a-12c) were designed, synthesized and characterized by spectroscopic methods. The dipeptidyl peptidase-4 inhibition potencies of these compounds were assessed through a MAK 203 kit. Compound 9e was found to be the most potent agent with an IC50 value of 34.3 ± 3.3 μM. A kinetic study revealed that it acted as a competitive inhibitor. Molecular modeling of these compounds was in agreement with the in vitro results. Due to the crucial role of dipeptidyl peptidase-4 in cancer therapy, the cytotoxic activities of the compounds were also evaluated against three cancerous cell lines (HT-29, SW1116 and A549). Almost all the compounds displayed better antiproliferative activity on colon cancer cell lines (HT-29 and SW1116) compared to a lung cancer cell line (A549). Compounds 9e and 12c exhibited significant activity toward the HT-29 cell line with an IC50 of 10.67 ± 0.3 μM and 27.9 ± 6.5 μM in comparison to sitagliptin and cisplatin as a positive control, respectively. Among the different cells, the compounds showed the best inhibitory effects on HT-29, which was compatible with the greater expression of the dipeptidyl peptidase-4 marker detected by flow cytometry in this cell line. Further studies on the hit compounds (9e and 12c) through cell cycle and apoptosis assays also showed that these compounds could induce cell death by apoptosis or arrest cells in the G2/M phase. Accordingly, the results imply that 9e is a potent inhibitor of dipeptidyl peptidase-4 with efficient anti-cancer activity and could play a role as a cytotoxic agent in colorectal cancer.

Exploration of antimicrobial and antioxidant potential of newly synthesized 2,3-disubstituted quinazoline-4(3H)-ones

Kumar, Ashok,Sharma, Pratibha,Kumari, Prerna,Lal Kalal, Bhagwan

supporting information; experimental part, p. 4353 - 4357 (2011/08/06)

A series of 2-(chloromethyl)-3-(4-methyl-6-oxo-5-[(E)-phenyldiazenyl]-2- thioxo-5,6-dihydropyrimidine-1(2H)-yl)quinazoline-4(3H)-ones 9a-j was synthesized by treating 2-(chloroacetyl)amino benzoic acid with 3-amino-6-methyl-5-[(E)-phenyldiazenyl]-2-thioxo

Synthesis of 2-(4-substitutedsulfonyl piperazin-l-yl-methyl)-3-aryl- quinazolin-4(3H)-one

Acharyulu, Palle V.R.,Dubey,Reddy, P.V.V. Prasada,Suresh, Thatipally

scheme or table, p. 923 - 928 (2010/10/18)

Reaction of 2-(chloromethyl)-3-arylquinazolin-4(3H)-one 3 with N-BOC piperazine 4 in acetonitrile using K2CO3 and KI, followed by deprotection of BOC group in IPA HC1, gives 3-aryl-2-(piperazin-l-yl) quinazolin-4(3H)-one 6. The latte

Synthesis of novel thioglycoside derivatives containing quinazolinone

Huang, Hui,Gao, Jian-Fang,Cao, Ling-Hua,Wang, Duo-Zhi,Zhang, Jian-Bin,Zhou, Shu-Bao,Zhou, Yu-Qiang

body text, p. 419 - 424 (2009/12/06)

Aseries of novel thioglycoside derivatives containing 4(3H)-quinazolinone was designed and synthesized from 2-chloromethyl-quinazolin-4(3H)-ones and 1-thioglycose. Several 2-chloromethyl-quinazolin-4(3H)-ones were synthesized on refluxing with 2-(chloroacetylamino)-benzoic acid and arylamines in acetonitrile. All of the novel compounds were characterized by IR, 1H NMR spectra and elemental analysis. The structures of compounds 7b, 8b and 8c have been determined by X-ray diffraction analysis.

Synthesis of novel new 2-(2-(4-((3,4-dihydro-4-oxo-3-aryl quinazolin-2-yl)methyl)piperazin-1-yl)acetoyloxy)-2-phenyl acetic acid esters

Acharyulu, Palle V. R.,Dubey,Reddy, P. V. V. Prasada,Suresh, Thatipally

body text, p. 3217 - 3231 (2011/03/17)

Stereoselective diazotization of (S)-2-amino-2-phenyl acetic acid (L-phenyl glycine) (4) with NaNO2 in 6% H2SO4 in a mixture of acetone and water gave optically pure (S)-2-hydroxy-2-phenyl acetic acid (L-mandelic acid) (5). Esterification, gave (S)-2-hydroxy-2-phenyl acetic acid esters (6). The latter was treated with chloroacetyl chloride in the presence of triethylamine (TEA) in dichloromethane (DCM) to yield (S)-2-chloroacetyloxy phenyl acetic acid ester (2). In another sequence, the reaction of 2-(chloromethyl)-3-arylquinazolin- 4(3H)-one (9) treated with N-Boc piperazine, followed by deprotection of the Boc group, to obtain 3-aryl-2-((piperazin-1-yl)methyl) quinazolin-4(3H)-one (3). Reaction of 2 with 3 in the presence of K2CO3 and KI gave the title compound, 2-(2-(4-((3,4-dihydro-4-oxo-3-arylquinazolin-2-yl)methyl)piperazin-1-yl) acetoyloxy)-2-phenyl acetic acid esters (1). The structures of all the new compounds obtained in the present work are supported by spectral and analytical data. Copyright Taylor & Francis Group, LLC.

ERASTIN AND ERASTIN BINDING PROTEINS, AND USES THEREOF

-

Page/Page column 127, (2008/06/13)

The invention relates to methods of screening for binding partners, especially binding partners essential for the biological activity of erastin (e.g. VDACs such as VDAC3). The invention also provides reagents and methods for effective killing of cancer c

Nitrogen bridgehead compounds. Part 85 [1]. Synthesis and reactivity of 3,4-dihydro-1H,6H-[1,4]oxazino[3,4-b]quinazolin-6-ones

Hermecz,Szilagyi,Orfi,Kokosi,Szasz

, p. 1413 - 1420 (2007/10/02)

3,4-Dihydro-1H,6H-[1,4]oxazino[3,4-b]quinazolin-6-one 3 and its 1-methyl and 1-hydroxy derivatives 8 and 13 were prepared by different routes. The active methylene group of compound 3 was reacted with electrohilic reagents (bromine, phenyldiazonium chlori

The Synthesis of Some 3-Amino-2-halomethyl-, 2-Halomethyl-3-(subst.amino)- and 2-Halomethyl-3-hetarylquinazolin-4(3H)-ones as Potential Plant Protecting Agents

Fetter, Jozsef,Czuppon, Tibor,Hornyak, Gyula,Feller, Antal

, p. 9393 - 9410 (2007/10/02)

A series of N(2)-(2-halomethyl-4-oxo-3,4-dihydroquinazolin-3-yl) carbazates 4 and 5 and 2-halomethyl-3-hetarylquinazolin-4-(3H)-ones 8 and 9 were obtained by reacting 2-halomethyl-4H-3,1-benzoxazin-4-ones (12) with alkyl carbazates and hetarylamines, resp

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