1-(5-tert-butyl-isoxazol-3-yl)-3-isopropyl-urea | 55807-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: 1-(5-tert-butyl-isoxazol-3-yl)-3-isopropyl-urea
• 英文别名: N-(5-tert-Butyl-1,2-oxazol-3-yl)-N'-propan-2-ylurea；1-(5-tert-butyl-1,2-oxazol-3-yl)-3-propan-2-ylurea
• CAS: 55807-63-1
• 化学式: C₁₁H₁₉N₃O₂
• mdl: MFCD20129270
• 分子量: 225.291
• InChiKey: KVXVOLHMXSROAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.636
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(5-tert-butyl-isoxazol-3-yl)-3-isopropyl-urea 生成 7-Tert-butyl-3-propan-2-yl-[1,2]oxazolo[2,3-a][1,3,5]triazine-2,4-dione
  参考文献：
  名称：

  PILGRAM, KURT, H.;PRICE, T. P.

  摘要：

  DOI：
• 作为产物：
  描述：

  异氰酸异丙酯 、 3-氨基-5-叔丁基异唑 在 hexane-diethyl ether 作用下， 以 四氢呋喃 为溶剂， 反应 64.0h， 以to give 1-(1-methylethyl)-3-(5-(1,1-dimethylethyl)-isoxazol-3-yl)urea (4A)的产率得到1-(5-tert-butyl-isoxazol-3-yl)-3-isopropyl-urea
  参考文献：
  名称：

  Isoxazolotriazindiones and plant growth inhibiting use thereof

  摘要：

  某些异噁唑三氮酮，对控制不需要的植物的生长有用。

  公开号：

  US04500345A1

文献信息

• NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER
  申请人：DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION

  公开号：US20190315738A1

  公开（公告）日：2019-10-17

  The present invention relates to a novel imidazopyridine derivative, a method for preparing the same, and a pharmaceutical composition containing the same as an active ingredient for preventing or treating cancer. The novel imidazopyridine derivative according to the present invention, a stereoisomer thereof and a pharmaceutically acceptable salt thereof can effectively inhibit cancer-related kinases, are excellent in inhibiting proliferation of cancer cells in a cancer cell line, and effectively inhibit proliferation of cancer cells (cancer cell apoptosis) in a cancer cell heterograft model, and thus can be useful as a pharmaceutical composition containing the same as an active ingredient for preventing or treating cancer. Also, the novel imidazopyridine derivative according to the present invention, the stereoisomer thereof, and the pharmaceutically acceptable salt thereof can effectively inhibit Src and Fyn, thereby being useful as a pharmaceutical composition for preventing or treating the Src and Fyn related diseases, and in particular, have been confirmed to be useful in diabetic nephropathy in animal model experiments. Therefore, the compound of the present invention can be effective as a pharmaceutical composition containing the same as an active ingredient for preventing or treating diabetic nephropathy.

  本发明涉及一种新的咪唑吡啶衍生物，一种制备该衍生物的方法，以及含有该衍生物作为活性成分用于预防或治疗癌症的药物组合物。根据本发明的新的咪唑吡啶衍生物及其立体异构体和药学上可接受的盐可以有效抑制与癌症相关的激酶，在癌细胞系中抑制癌细胞增殖方面表现出优异，有效抑制癌细胞在癌细胞异种移植模型中的增殖（癌细胞凋亡），因此可以作为含有该衍生物作为活性成分的药物组合物用于预防或治疗癌症。此外，根据本发明的新的咪唑吡啶衍生物、其立体异构体和药学上可接受的盐可以有效抑制Src和Fyn，因此可用作预防或治疗与Src和Fyn相关疾病的药物组合物，特别在动物模型实验中已确认在糖尿病肾病中有用。因此，本发明的化合物可以作为含有该衍生物作为活性成分的药物组合物，有效预防或治疗糖尿病肾病。
• Imidazopyridine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer
  申请人：DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION

  公开号：US10870647B2

  公开（公告）日：2020-12-22

  The present invention relates to a novel imidazopyridine derivative, a method for preparing the same, and a pharmaceutical composition containing the same as an active ingredient for preventing or treating cancer. The novel imidazopyridine derivative according to the present invention, a stereoisomer thereof and a pharmaceutically acceptable salt thereof can effectively inhibit cancer-related kinases, are excellent in inhibiting proliferation of cancer cells in a cancer cell line, and effectively inhibit proliferation of cancer cells (cancer cell apoptosis) in a cancer cell heterograft model, and thus can be useful as a pharmaceutical composition containing the same as an active ingredient for preventing or treating cancer. Also, the novel imidazopyridine derivative according to the present invention, the stereoisomer thereof, and the pharmaceutically acceptable salt thereof can effectively inhibit Src and Fyn, thereby being useful as a pharmaceutical composition for preventing or treating the Src and Fyn related diseases, and in particular, have been confirmed to be useful in diabetic nephropathy in animal model experiments. Therefore, the compound of the present invention can be effective as a pharmaceutical composition containing the same as an active ingredient for preventing or treating diabetic nephropathy.

  本发明涉及一种新型咪唑吡啶衍生物、其制备方法以及一种含有该衍生物作为有效成分的预防或治疗癌症的药物组合物。根据本发明的新型咪唑吡啶衍生物、其立体异构体和其药学上可接受的盐可有效抑制癌症相关激酶，在抑制癌细胞系中的癌细胞增殖方面表现出色，并可有效抑制癌细胞异种移植模型中的癌细胞增殖（癌细胞凋亡），因此可作为含有其作为活性成分的药物组合物用于预防或治疗癌症。 另外，根据本发明的新型咪唑吡啶衍生物、其立体异构体及其药学上可接受的盐可以有效抑制 Src 和 Fyn，从而可作为药物组合物用于预防或治疗与 Src 和 Fyn 相关的疾病，特别是已在动物模型实验中证实可用于糖尿病肾病。因此，本发明的化合物作为一种含有相同活性成分的药物组合物，可有效预防或治疗糖尿病肾病。
• PILGRAM, KURT, H.;PRICE, T. P.
  作者：PILGRAM, KURT, H.、PRICE, T. P.

  DOI：——

  日期：——
• US4500345A
  申请人：——

  公开号：US4500345A

  公开（公告）日：1985-02-19
• Isoxazolotriazindiones and plant growth inhibiting use thereof
  申请人：Shell Oil Company

  公开号：US04500345A1

  公开（公告）日：1985-02-19

  Certain isoxazolotriazinediones, useful for controlling the growth of unwanted plants.

  某些异噁唑三氮酮，对控制不需要的植物的生长有用。