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1,5-Benzothiazepin-4(5H)-one, 2-(4-chlorophenyl)-2,3-dihydro- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 77261-93-9 Structure
  • Basic information

    1. Product Name: 1,5-Benzothiazepin-4(5H)-one, 2-(4-chlorophenyl)-2,3-dihydro-
    2. Synonyms: 4-Oxo-2-<4-chlor-phenyl>-2,3,4,5-tetrahydro-1,5-benzothiazepin;4T-0660;
    3. CAS NO:77261-93-9
    4. Molecular Formula: C15H12ClNOS
    5. Molecular Weight: 289.785
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 77261-93-9.mol
    9. Article Data: 10
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1,5-Benzothiazepin-4(5H)-one, 2-(4-chlorophenyl)-2,3-dihydro-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1,5-Benzothiazepin-4(5H)-one, 2-(4-chlorophenyl)-2,3-dihydro-(77261-93-9)
    11. EPA Substance Registry System: 1,5-Benzothiazepin-4(5H)-one, 2-(4-chlorophenyl)-2,3-dihydro-(77261-93-9)
  • 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: 77261-93-9(Hazardous Substances Data)

77261-93-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 77261-93-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,2,6 and 1 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 77261-93:
(7*7)+(6*7)+(5*2)+(4*6)+(3*1)+(2*9)+(1*3)=149
149 % 10 = 9
So 77261-93-9 is a valid CAS Registry Number.

77261-93-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-chlorophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

1.2 Other means of identification

Product number -
Other names 4T-0660

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:77261-93-9 SDS

77261-93-9Relevant articles and documents

Discovery of Novel Benzothiazepinones as Irreversible Covalent Glycogen Synthase Kinase 3β Inhibitors for the Treatment of Acute Promyelocytic Leukemia

Zhang, Peng,Min, Zhihui,Gao, Yang,Bian, Jiang,Lin, Xin,He, Jie,Ye, Deyong,Li, Yilin,Peng, Chao,Cheng, Yunfeng,Chu, Yong

, p. 7341 - 7358 (2021/06/28)

Recently, irreversible inhibitors have attracted great interest in antitumors due to their advantages of forming covalent bonds to target proteins. Herein, some benzothiazepinone compounds (BTZs) have been designed and synthesized as novel covalent GSK-3β inhibitors with high selectivity for the kinase panel. The irreversible covalent binding mode was identified by kinetics and mass spectrometry, and the main labeled residue was confirmed to be the unique Cys14 that exists only in GSK-3β. The candidate 4-3 (IC50 = 6.6 μM) showed good proliferation inhibition and apoptosis-inducing ability to leukemia cell lines, low cytotoxicity on normal cell lines, and no hERG inhibition, which hinted the potential efficacy and safety. Furthermore, 4-3 exhibited decent pharmacokinetic properties in vivo and remarkably inhibited tumor growth in the acute promyelocytic leukemia (APL) mouse model. All the results suggest that these newly irreversible BTZ compounds might be useful in the treatment of cancer such as APL.

Discovery and anti-inflammatory evaluation of benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of glycogen synthase kinase-3β (GSK-3β)

Gao, Yang,Zhang, Peng,Cui, Anfeng,Ye, De-Yong,Xiang, Meng,Chu, Yong

, p. 5479 - 5493 (2018/10/09)

Glycogen synthase kinase-3β (GSK-3β) has been identified to promote inflammation and its inhibitors have also been proven to treat some inflammatory mediated diseases in animal models. Non-ATP competitive inhibitors inherently have better therapeutical value due to their higher specificity than ATP competitive ones. In this paper, we designed and synthesized a series of new BTZ derivatives as non-ATP competitive GSK-3β inhibitors. Kinetic analysis revealed two typical compounds 6j and 3j showed the different non-ATP competitive mechanism of substrate competition or allosteric modulation to GSK-3β, respectively. As expected, the two compounds showed good specificity in a panel test of 16 protein kinases, even to the closest enzymes, like CDK-1/cyclin B and CK-II. The in vivo results proved that both compounds can greatly attenuate the LPS-induced acute lung injury (ALI) and diminish inflammation response in mice by inhibiting the mRNA expression of IL-1β and IL-6. Western blot analysis demonstrated that they negatively regulated GSK-3β, and the mechanism of the observed beneficial effects of the inhibitors may involve both the increased phosphorylation of the Ser9 residue on GSK-3β and protein expression of Sirtuin 1 (SIRT1). The results support that such novel BTZ compounds have a protective role in LPS-induced ALI, and might be attractive candidates for further development of inflammation pharmacotherapy, which greatly thanks to their inherently high selectivities by the non-ATP competitive mode of action. Finally, we proposed suggesting binding modes by Docking study to well explain the impacts of compounds on the target site.

Catalytic Enantioselective Synthesis of Protecting-Group-Free 1,5-Benzothiazepines

Meninno, Sara,Volpe, Chiara,Lattanzi, Alessandra

supporting information, p. 4547 - 4550 (2017/04/13)

A one-pot enantioselective route to N-unprotected 2,3-dihydro-1,5-benzothiazepinones, by an organocatalyzed sulfa-Michael reaction of readily available α,β-unsaturated N-acyl pyrazoles with 2-aminothiophenols followed by silica-gel-catalyzed lactamization

An efficient one-pot procedure for the synthesis of 1,5-benzothiazepinones catalyzed by tetrabutylammonium fluoride (TBAF)

Zhang, Peng,Ye, Deyong,Chu, Yong

supporting information, p. 3743 - 3745 (2016/07/26)

A practical and efficient method for the preparation of 1,5-benzothiazepinone derivatives in good yields has been developed using tetrabutylammonium fluoride (TBAF) as a catalyst. This study not only expands the previous work on the substrate scope and al

Design, synthesis and biological evaluation of benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of glycogen synthase kinase-3β (GSK-3β)

Zhang, Peng,Hu, Hai-Rong,Bian, Shi-Hui,Huang, Zhao-Hui,Chu, Yong,Ye, De-Yong

, p. 95 - 103 (2013/04/23)

Glycogen synthase kinase-3β (GSK-3β) plays a key role in type II diabetes and Alzheimer's diseases, to which non-ATP competitive inhibitors represent an effectively therapeutical approach due to their good specificity. Herein, a series of small molecules benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of GSK-3β have been designed and synthesized. The in vitro evaluation performed by luminescent assay showed most BTZ derivatives have inhibitory effects in micromolar scale. Among them compounds 6l, 6t and 6v have the IC50 values of 25.0 μM, 27.8 μM and 23.0 μM, respectively. Moreover 6v is devoid of any inhibitory activity in the assays to other thirteen protein kinases. Besides, SAR is analyzed and a hypothetical enzymatic binding mode is proposed by molecular docking study, which would be useful for new candidates design.

Features and applications of reactions of α,β-unsaturated N-acylbenzotriazoles with amino compounds

Wang, Xiaoxia,Li, Zhifang,Zhu, Xiangming,Mao, Hui,Zou, Xuefei,Kong, Lichun,Li, Xinsheng

, p. 6510 - 6521 (2008/09/21)

Promoted by triethylamine, α,β-unsaturated N-acylbenzotriazoles reacted with amino compounds in a variety of ways. Thus, N-cinnamoylbenzotriazoles reacting with aromatic amines afforded novel addition products β-benzotriazolyl amides 3, which might be normally formed from the alternative but unknown 1,4-addition of benzotriazole to N-cinnamoylamides. The type 3 compounds could also result from the reaction between N-crotonoylbenzotriazole and aliphatic amines. However, normal 1,4-addition could occur between α,β-unsaturated aliphatic N-acylbenzotriazoles and aromatic amines, leading to β-amino N-acylbenzotriazoles 4 in good yields. In addition, exclusive 1,2-addition of aliphatic amines to N-cinnamoylbenzotriazoles gave excellent yields of cinnamides 5. Accordingly, three possible routes were proposed to rationalize the formation of compounds 3-5. Finally, with o-phenylenediamine and o-aminothiophenol as the substrates, the 1,4- and 1,2-addition to α,β-unsaturated N-acylbenzotriazoles could take place concurrently and the corresponding heterocycles 1,5-benzodiazepine-2-one and 1,5-benzothiazepine-4-one were constructed, respectively.

Benzodiazepine analogues. Part 8. Trimethylsilyl azide mediated Schmidt rearrangement of thioflavanone and thiochromanone precursors

Kaye,Mphahlele

, p. 1495 - 1509 (2007/10/02)

The synthesis and Schmidt rearrangement of a series of thioflavanone analogues to benzothiazepinone derivatives is described.

Studies on annelated [1,4]benzothiazines and [1,5]benzothiazepines, V: Synthesis and biological activity of N-2 alkylamino derivatives of 4,5-dihydro-s-triazolo[3,4-d]-1,5-benzothiazepine

Ambrogi,Giampietri,Grandolini,Perioli,Ricci,Tuttobello

, p. 569 - 577 (2007/10/02)

The synthesis of a new series of N-2 alkylamino derivatives of 4,5-dihydro-s-triazolo[3,4-d]-1,5-benzothiazepine has been accomplished starting from 2,3-dihydro-1,5-benzothiazepin-4(5H)ones and their 2-methyl and 2-aryl derivatives. - All the compounds were tested in vitro for their antimicrobial activity, but none of them showed remarkable activity. - The tricyclic compounds 7a-j, 8a-j, 9a-j, 10a-j, and 11a-j were also screened for their CNS activity in mice and several of them showed interesting activity.

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