benzyl 3-amino-5-(1,1-dioxo-1λ6-isothiazolidin-2-yl)-1H-indazol-1-carboxylate | 373361-45-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 3-amino-5-(1,1-dioxo-1λ6-isothiazolidin-2-yl)-1H-indazol-1-carboxylate
• 英文别名: benzyl 3-amino-5-(1,1-dioxo-1lambda6-isothiazolidin-2-yl)-1H-indazol-1-carboxylate；benzyl 3-amino-5-(1,1-dioxo-1,2-thiazolidin-2-yl)indazole-1-carboxylate
• CAS: 373361-45-6
• 化学式: C₁₈H₁₈N₄O₄S
• 分子量: 386.431
• InChiKey: WJHNJMFUEMEYJT-UHFFFAOYSA-N

物化性质

• 沸点：
  649.0±65.0 °C(predicted)
• 密度：
  1.51±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  benzyl 3-amino-5-(1,1-dioxo-1λ6-isothiazolidin-2-yl)-1H-indazol-1-carboxylate 、 (3-氯苯基)乙酰氯 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors

  摘要：

  A novel series of 3,5-diaminoindazoles were prepared and found to be CDK inhibitors. Potent inhibitors against CDK1 and CDK2 were obtained by introduction of 1lambda(6)-isothiazolidine-1,1-dioxide at 5-position of indazole. Anti-proliferative activities of compounds were evaluated using EJ, HCT116, SW620, and A549 cancer cell lines.

  DOI：

  10.1016/j.bmcl.2008.03.002
• 作为产物：
  描述：

  benzyl 3-[bis(t-butoxycarbonyl)amino]-5-(1,1-dioxo-1λ6-isothiazolidin-2-yl)-1H-indazol-1-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 以47%的产率得到benzyl 3-amino-5-(1,1-dioxo-1λ6-isothiazolidin-2-yl)-1H-indazol-1-carboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors

  摘要：

  A novel series of 3,5-diaminoindazoles were prepared and found to be CDK inhibitors. Potent inhibitors against CDK1 and CDK2 were obtained by introduction of 1lambda(6)-isothiazolidine-1,1-dioxide at 5-position of indazole. Anti-proliferative activities of compounds were evaluated using EJ, HCT116, SW620, and A549 cancer cell lines.

  DOI：

  10.1016/j.bmcl.2008.03.002

文献信息

• INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION
  申请人：——

  公开号：US20030149034A1

  公开（公告）日：2003-08-07

  The present invention relates to an indazole derivative, pharmaceutically acceptable salt, solvated product and isomer thereof substituted with 1,1-dioxoisothiazolidine which are useful as inhibitors for Cyclin Dependent Kinase (CDK). The present invention also relates to an agent for inhibiting and treating diseases involving cell proliferation, e.g., cancer, inflammation, restenosis, angiogenesis, etc. which comprises the compound of formula (1) as an active ingredient together with a pharmaceutically acceptable carrier.

  本发明涉及一种与1,1-二氧异噻唑啉基取代的吲唑啉衍生物、药用可接受的盐、溶剂化产物和同分异构体，其作为 Cyclin Dependent Kinase (CDK) 的抑制剂。本发明还涉及一种用于抑制和治疗涉及细胞增殖的疾病，例如癌症、炎症、再狭窄、血管生成等的药剂，其包括化合物（1）的配方作为活性成分，与药用可接受的载体一起使用。
• INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION
  申请人：LG Life Sciences Ltd.

  公开号：EP1280802B1

  公开（公告）日：2004-05-06
• US6620831B2
  申请人：——

  公开号：US6620831B2

  公开（公告）日：2003-09-16
• Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors
  作者：Jinho Lee、Hwangeun Choi、Kyoung-Hee Kim、Shinwu Jeong、Jong-Wook Park、Chul-Su Baek、Sei-Hee Lee

  DOI：10.1016/j.bmcl.2008.03.002

  日期：2008.4

  A novel series of 3,5-diaminoindazoles were prepared and found to be CDK inhibitors. Potent inhibitors against CDK1 and CDK2 were obtained by introduction of 1lambda(6)-isothiazolidine-1,1-dioxide at 5-position of indazole. Anti-proliferative activities of compounds were evaluated using EJ, HCT116, SW620, and A549 cancer cell lines.