4H-苯并噻喃并[4,3-d]噻唑-2-胺 | 31879-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 中文名称: 4H-苯并噻喃并[4,3-d]噻唑-2-胺
• 英文名称: 2-amino-4H-<1>benzothiopyrano<4,3-d>thiazole
• 英文别名: 2-amino(1-benzthiopyrano)-(4,3-b)-thiazole；4H-thiochromeno[4,3-d]thiazol-2-ylamine；4H-thiochromeno[4,3-d][1,3]thiazol-2-amine
• CAS: 31879-58-0
• 化学式: C₁₀H₈N₂S₂
• mdl: MFCD02064979
• 分子量: 220.319
• InChiKey: WGBUMKYAWGTOBY-UHFFFAOYSA-N

物化性质

• 沸点：
  480.4±24.0 °C(Predicted)
• 密度：
  1.463±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-(prop-2-ynyloxy)benzoic acid 、 4H-苯并噻喃并[4,3-d]噻唑-2-胺 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 以81%的产率得到4-prop-2-ynoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
  参考文献：
  名称：

  Tricyclic thiazoles are a new class of angiogenesis inhibitors

  摘要：

  Tricyclic thiazoleamine derivatives that were identified as hits in a screen against human umbilical vein endothelial cell proliferation were subjected to a structure-activity relationship study. Two structurally superimposable scaffolds-4H-thiochromeno[4,3-d]thiazol-2-amine and 5,6-dihydro-4H-benzo[6,7]cyclo hepta[1,2-d] thiazol-2-amine derivatives-yielded low-micromolar inhibitors, and two among them 37 and 43 also exhibited antiangiogenic activity in an endothelial tube formation assay. Thus, 37 and 43 can serve as leads to develop a novel class of antiangiogenic agents. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.067
• 作为产物：
  描述：

  3-Brom-thiochroman-4-on 、 硫脲 在 sodium acetate 作用下， 以 乙醇 为溶剂， 生成 4H-苯并噻喃并[4,3-d]噻唑-2-胺
  参考文献：
  名称：

  Kempter,G. et al., Zeitschrift fur Chemie, 1970, vol. 10, p. 460 - 462

  摘要：

  DOI：

文献信息

• Joshi, B. C.; Gogia, Santosh; Kishore, Dharma, Journal of the Indian Chemical Society, 1988, vol. 65, p. 280 - 281
  作者：Joshi, B. C.、Gogia, Santosh、Kishore, Dharma

  DOI：——

  日期：——
• Babu, B. Ramesh; Ramana, D. V.; Ramadas, S. R., Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 60, # 3/4, p. 175 - 181
  作者：Babu, B. Ramesh、Ramana, D. V.、Ramadas, S. R.

  DOI：——

  日期：——
• Tricyclic thiazoles are a new class of angiogenesis inhibitors
  作者：Shridhar Bhat、Joong Sup Shim、Jun O. Liu

  DOI：10.1016/j.bmcl.2013.02.067

  日期：2013.5

  Tricyclic thiazoleamine derivatives that were identified as hits in a screen against human umbilical vein endothelial cell proliferation were subjected to a structure-activity relationship study. Two structurally superimposable scaffolds-4H-thiochromeno[4,3-d]thiazol-2-amine and 5,6-dihydro-4H-benzo[6,7]cyclo hepta[1,2-d] thiazol-2-amine derivatives-yielded low-micromolar inhibitors, and two among them 37 and 43 also exhibited antiangiogenic activity in an endothelial tube formation assay. Thus, 37 and 43 can serve as leads to develop a novel class of antiangiogenic agents. (C) 2013 Elsevier Ltd. All rights reserved.
• Kempter,G. et al., Zeitschrift fur Chemie, 1970, vol. 10, p. 460 - 462
  作者：Kempter,G. et al.

  DOI：——

  日期：——