Literature DB >> 21579259

tert-Butyl N-[6-(N,N-dipropyl-carbamo-yl)-1,3-benzothia-zol-2-yl]carbamate.

Xin Fang, Can Lei, Hai-Yang Yu, Ming-Dong Huang, Jun-Dong Wang.   

Abstract

The title compound C(19)H(27)N(3)O(3)S, crystallizes with two unique mol-ecules in the asymmetric unit. The benzene ring of each benzothia-zole unit carries a dipropyl-carbamoyl substituent in the 6-position and a tert-butyl carbamate unit on each thia-zole ring. In the crystal structure, inter-molecular N-H⋯N and weak C-H⋯O hydrogen bonds form centrosymmetric dimers. Additional C-H⋯O contacts construct a three-dimensional network. A very weak C-H⋯π contact is also present.

Entities:  

Year:  2010        PMID： 21579259      PMCID： PMC2979059          DOI： 10.1107/S160053681001528X

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


  8 in total

1.  Antitumor benzothiazoles. 26.(1) 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (GW 610, NSC 721648), a simple fluorinated 2-arylbenzothiazole, shows potent and selective inhibitory activity against lung, colon, and breast cancer cell lines.

Authors:  Catriona G Mortimer; Geoffrey Wells; Jean-Philippe Crochard; Erica L Stone; Tracey D Bradshaw; Malcolm F G Stevens; Andrew D Westwell
Journal:  J Med Chem       Date:  2006-01-12       Impact factor: 7.446

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

3.  1,3-Benzothiazole-6-carboxamidinium chloride dihydrate.

Authors:  Dubravka Matković-Calogović; Zora Popović; Vesna Tralić-Kulenović; Livio Racanè; Grace Karminski-Zamola
Journal:  Acta Crystallogr C       Date:  2003-03-11       Impact factor: 1.172

4.  Benzothiazolines as antituberculous agents.

Authors:  P J Palmer; R B Trigg; J V Warrington
Journal:  J Med Chem       Date:  1971-03       Impact factor: 7.446

5.  Ethyl 2-(tert-butoxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxyl-ate.

Authors:  Can Lei; Xin Fang; Hai-Yang Yu; Ming-Dong Huang; Jun-Dong Wang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-03-24

6.  Fluorinated 2-(4-amino-3-methylphenyl)benzothiazoles induce CYP1A1 expression, become metabolized, and bind to macromolecules in sensitive human cancer cells.

Authors:  Eileen Brantley; Valentina Trapani; Michael C Alley; Curtis D Hose; Tracey D Bradshaw; Malcolm F G Stevens; Edward A Sausville; Sherman F Stinson
Journal:  Drug Metab Dispos       Date:  2004-09-08       Impact factor: 3.922

7.  Novel cyano- and amidinobenzothiazole derivatives: synthesis, antitumor evaluation, and X-ray and quantitative structure-activity relationship (QSAR) analysis.

Authors:  Irena Caleta; Marijeta Kralj; Marko Marjanović; Branimir Bertosa; Sanja Tomić; Gordana Pavlović; Kresimir Pavelić; Grace Karminski-Zamola
Journal:  J Med Chem       Date:  2009-03-26       Impact factor: 7.446

8.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  8 in total
  2 in total

1.  catena-Poly[lead(II)-bis-(μ-2-amino-1,3-benzothia-zole-6-carboxyl-ato)].

Authors:  Ke-Ke Zhang; Xin Fang; Hai-Yang Yu; Hua Ke; Jun-Dong Wang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-11-30

2.  catena-Poly[[(2-amino-1,3-benzothia-zole-6-carboxyl-ato-κ(2)O,O')(2,2'-bipyridyl-κ(2)N,N')cadmium]-μ-2-amino-1,3-benzothia-zole-6-carboxyl-ato-κ(3)N(1):O,O'].

Authors:  Dan Gao; Xin Fang; Ke-Ke Zhang; Li-Mao Cai; Jun-Dong Wang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-04-21
  2 in total

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