Citation: Feng Wen, Wang Xianghui, Song Huangwang, Sun Zhenfan, Wu Luyong, Shi Zaifeng, Chen Guangying, Lin Qiang. Syntheses and QSAR Study on Anti-Algae Activities of Benzisothiazolin-3-one Derivatives[J]. Chemistry, ;2017, 80(12): 1133-1137, 1147. shu

Syntheses and QSAR Study on Anti-Algae Activities of Benzisothiazolin-3-one Derivatives

Key Laboratory of Tropical Medicinal Plant Chemistry of Ministry of Education and Key Laboratory of Water Pollution Treatment and Resource Reuse of Hainan Province, Hainan Normal University, Haikou 570228

Corresponding author: Lin Qiang, linqianggroup@163.com
Received Date: 8 May 2017
Accepted Date: 8 September 2017

Figures(1)

Eight benzisothiazolin-3-one derivatives were synthesized through reaction of alkyl alcohol with 1, 2-benzisothiazol-2(3H)-one. The bioassay results showed that all compounds (2a~2h, 2mg/L) possess good anti-algae activities. The molecular models were constructed by software Chemoffice 2010, and the geometric configuration was optimized by employing semiempirical quantum chemical method (AM1). In this way, quantum chemistry and physical chemistry parameters was calculated. The primary study of quantitative structure activity relationship showed the anti-algae activities is related to LogP, and the relation model was established.
- 1, 2-benzisothiazol-2(3H)-one,
- Anti-algae activity,
- Quantitative structure activity relationship,
- LogP
1. [1]
  F Clerici, M L Gelmi, S Pellegrino et al. Chemistry of biologically active isothiazoles. Bioactive Heterocycles Ⅲ. Springer Berlin Heidelberg, 2007:179~264.
2. [2]
  M Davis. Adv. Heterocycl. Chem., 1972, 14:43~98.
3. [3]
  A S S H Elgazwy. Tetrahedron, 2003, 59(38):7445~7463.
4. [4]
5. [5]
  P Borgna, M Carmellino. Eur. J. Med. Chem., 1996, 31:919~925.
6. [6]
7. [7]
  P Vicini, M Incerti. Eur. J. Med. Chem., 2009, 44:1801~1807.
8. [8]
  P Vicini, L Amoretti. Bio. Med. Chem., 2000, 8:2355~2358.
9. [9]
  F Xu, Q Lin, B Hou et al. J. Heter. Chem., 2009, 46:320~323.
10. [10]
  D F Dou, D Alex, B F Du et al. Bioorgan. Med. Chem., 2011, 19:5782~5787.
11. [11]
  X H Wang, C H You, Q Lin et al. Chin. J. Struct. Chem., 2013, 32(8):1123~1130.
12. [12]
13. [13]
14. [14]
15. [15]
16. [16]
  A D Becke. Phys. Rev. A, 1988, 38(6):3098~3100.
17. [17]
18. [18]
19. [19]
  C Hansch, T Fujita. J. Am. Chem. Soc., 1964, 86(8):1616~1626.
20. [20]
  A J Leo, C Hansch. Perspect. Drug Discov., 1999, 17(1):1~25.
1. [1]
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