4H-1,2,4-苯并噻二嗪,3-氯-4-(1-甲基乙基)-,1,1-二氧化 | 108221-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 中文名称: 4H-1,2,4-苯并噻二嗪,3-氯-4-(1-甲基乙基)-,1,1-二氧化
• 英文名称: 3-chloro-4-izopropyl 4H-1,2,4-benzothiadiazine 1,1-dioxide
• 英文别名: 3-chloro-4-isopropyl-4H-1,2,4-thiadiazine 1,1-dioxide；3-Chloro-4-(propan-2-yl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione；3-chloro-4-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide
• CAS: 108221-79-0
• 化学式: C₁₀H₁₁ClN₂O₂S
• 分子量: 258.729
• InChiKey: ZNJLBSNRTGSFHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4H-1,2,4-苯并噻二嗪,3-氯-4-(1-甲基乙基)-,1,1-二氧化 在 一水合肼 作用下， 以 氯仿 为溶剂， 生成 (4-Isopropyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-hydrazine
  参考文献：
  名称：

  Anti-tubercular agents. Part 3. Benzothiadiazine as a novel scaffold for anti-Mycobacterium activity

  摘要：

  In an effort to develop new and more effective therapies to treat tuberculosis, a series of benzothiadiazine 1,1-dioxide derivatives were synthesized and their in vitro activity against Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium intracellulare was evaluated. One of the compounds, 8c, exhibited potent anti-tubercular activity, particularly for the resistant strains and thus prompted us to investigate its in vivo profile. However, the in vivo testing in a mouse model of tuberculosis infection did not show significant anti-tubercular activity, probably because of its poor bioavailability. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.063
• 作为产物：
  描述：

  N-异丙基苯胺 在 三氯化铝 、 五氯化磷 作用下， 反应 1.5h， 生成 4H-1,2,4-苯并噻二嗪,3-氯-4-(1-甲基乙基)-,1,1-二氧化
  参考文献：
  名称：

  Reddy; Kamal; Bhaskar Rao, European Journal of Medicinal Chemistry, 1986, vol. 21, # 2, p. 177 - 179

  摘要：

  DOI：

文献信息

• A New, Facile Synthesis of 4-Alkyl- and Aryl-Substituted 3-Amino-4<i>H</i>-1,2,4-benzothiadiazine 1,1-Dioxides
  作者：A. V. Narender Reddy、Ahmed Kamal、P. B. Sattur

  DOI：10.1055/s-1986-31810

  日期：——

  A new efficient preparation of 4-alkyl- and aryl-substituted 3-amino- 4H-1,2,4-benzothiadiazine 1,1-dioxides (3) is described via the 3-chloro derivatives of 4-alkyl- and aryl substituted 3-oxo-2H-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxides, (1) on their treatment with aqueous ammonia solution.

  通过4-烷基和芳基取代的3-氧代-2H-3,4-二氢-1,2,4-苯并噻二嗪1,1-二氧化物（1）的3-氯衍生物与氨水溶液处理，描述了一种新的4-烷基和芳基取代的3-氨基-4H-1,2,4-苯并噻二嗪1,1-二氧化物（3）的高效制备方法。
• Synthesis and biological evaluation of 10-substituted imidazo[1,2-b][1,2,4]benzothiadiazine 5,5-dioxides and their 2,10-dihydro analogs
  作者：A.V.N. Reddy、Ahmed Kamal、A. Bhaskar Rao、P.B. Sattur

  DOI：10.1016/0223-5234(87)90012-2

  日期：1987.3
• 1,2,4-Benzothiadiazine linked pyrrolo[2,1-c][1,4]benzodiazepine conjugates: Synthesis, DNA-binding affinity and cytotoxicity
  作者：Ahmed Kamal、M. Naseer A. Khan、K. Srinivasa Reddy、S. Kaleem Ahmed、M. Shiva Kumar、Aarti Juvekar、Subrata Sen、Surekha Zingde

  DOI：10.1016/j.bmcl.2007.08.018

  日期：2007.10

  Benzothiadiazine-pyrrolobenzodiazepine conjugates linked through different alkane spacers have been prepared. These new classes of hybrid molecules exhibit cytotoxicity against many cancer cell lines. Their DNA thermal denaturation studies have been carried out and one of the compounds (4b) elevates the DNA helix melting temperature of the CT-DNA by 6.7 degrees C after incubation for 36 h. (C) 2007 Elsevier Ltd. All rights reserved.
• REDDY, A. V. N.;KAMAL, A.;BHASKAR, RAO, A.;SATTUR, P. B., EUR. J. MED. CHEM., 1986, 21, N 2, 177-179
  作者：REDDY, A. V. N.、KAMAL, A.、BHASKAR, RAO, A.、SATTUR, P. B.

  DOI：——

  日期：——
• REDDY A. V. N.; KAMAL A.; SATTUR P. B., SYNTHESIS,(1986) N 10, 864-865
  作者：REDDY A. V. N.、 KAMAL A.、 SATTUR P. B.

  DOI：——

  日期：——