tert-butyl 1-(cyclohexylmethyl)-2-(propan-2-ylidene)hydrazinecarboxylate | 1608125-58-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tert-butyl 1-(cyclohexylmethyl)-2-(propan-2-ylidene)hydrazinecarboxylate
• 英文别名: tert-Butyl-1-(cyclohexylmethyl)-2-(propan-2-ylidene)hydrazinecarboxylate；tert-butyl N-(cyclohexylmethyl)-N-(propan-2-ylideneamino)carbamate
• CAS: 1608125-58-1
• 化学式: C₁₅H₂₈N₂O₂
• 分子量: 268.4
• InChiKey: XMJZWGSLZJPTOM-UHFFFAOYSA-N

物化性质

• 沸点：
  341.8±25.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 1-(cyclohexylmethyl)-2-(propan-2-ylidene)hydrazinecarboxylate 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 N-(环己基甲基)肼盐酸盐
  参考文献：
  名称：

  [EN] PYRAZOLE DERIVATIVES AND THEIR USES THEREOF
  [FR] DÉRIVÉS DE PYRAZOLE ET LEURS UTILISATIONS

  摘要：

  本公开涉及式(I)的化合物或其药用盐；其中U、R1、R2、R3和Q如本文所定义。本公开还提供了一种治疗或预防一种或多种自身免疫或异体免疫疾病的方法，包括药物组合和药物组合，其中含有按本文所定义的化合物的治疗有效量。

  公开号：

  WO2014138979A1
• 作为产物：
  描述：

  肼基甲酸叔丁酯 在 四丁基硫酸氢铵 、 magnesium sulfate 、 溶剂黄146 、 potassium hydroxide 作用下， 以 甲苯 为溶剂， 反应 5.0h， 生成 tert-butyl 1-(cyclohexylmethyl)-2-(propan-2-ylidene)hydrazinecarboxylate
  参考文献：
  名称：

  [EN] PYRAZOLE DERIVATIVES AND THEIR USES THEREOF
  [FR] DÉRIVÉS DE PYRAZOLE ET LEURS UTILISATIONS

  摘要：

  本公开涉及式(I)的化合物或其药用盐；其中U、R1、R2、R3和Q如本文所定义。本公开还提供了一种治疗或预防一种或多种自身免疫或异体免疫疾病的方法，包括药物组合和药物组合，其中含有按本文所定义的化合物的治疗有效量。

  公开号：

  WO2014138979A1

文献信息

• [EN] PYRAZOLE DERIVATIVES AND THEIR USES THEREOF<br/>[FR] DÉRIVÉS DE PYRAZOLE ET LEURS UTILISATIONS
  申请人：CANADIAN BLOOD SERVICES

  公开号：WO2014138979A1

  公开（公告）日：2014-09-18

  The present disclosure relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof; wherein U, R1, R2, R3 and Q are as defined herein. The disclosure also provides a method for treating or preventing a method for the prevention, treatment and/or alleviation of one or more autoimmune or alloimmune disease, pharmaceutical compositions and combination comprising a therapeutically effective amount of a compound, as defined herein.

  本公开涉及式(I)的化合物或其药用盐；其中U、R1、R2、R3和Q如本文所定义。本公开还提供了一种治疗或预防一种或多种自身免疫或异体免疫疾病的方法，包括药物组合和药物组合，其中含有按本文所定义的化合物的治疗有效量。
• PYRAZOLE DERIVATIVES AND THEIR USES THEREOF
  申请人：CANADIAN BLOOD SERVICES

  公开号：US20160022640A1

  公开（公告）日：2016-01-28

  The present disclosure relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof; wherein U, R1, R2, R3 and Q are as defined herein. The disclosure also provides a method for treating or preventing a method for the prevention, treatment and/or alleviation of one or more autoimmune or alloimmune disease, pharmaceutical compositions and combination comprising a therapeutically effective amount of a compound, as defined herein.

  本公开涉及式(I)的化合物或其药学上可接受的盐；其中U、R1、R2、R3和Q的定义如本文所述。本公开还提供了一种预防、治疗和/或缓解一种或多种自身免疫或异体免疫疾病的方法，以及包含所述化合物的治疗有效量的药物组合物和组合物。
• Pyrazole derivatives and their uses thereof
  申请人：CANADIAN BLOOD SERVICES

  公开号：US10130609B2

  公开（公告）日：2018-11-20

  The present disclosure relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof; wherein U, R1, R2, R3 and Q are as defined herein. The disclosure also provides a method for treating or preventing a method for the prevention, treatment and/or alleviation of one or more autoimmune or alloimmune disease, pharmaceutical compositions and combination comprising a therapeutically effective amount of a compound, as defined herein.

  本公开涉及式（I）化合物或其药学上可接受的盐；其中 U、R1、R2、R3 和 Q 如本文所定义。本公开还提供了一种治疗或预防一种或多种自身免疫或同种免疫疾病的方法、药物组合物和包含治疗有效量的本文所定义的化合物的组合物。
• Structure–activity relationships of pyrazole derivatives as potential therapeutics for immune thrombocytopenias
  作者：Meena K. Purohit、Sai Kumar Chakka、Iain Scovell、Anton Neschadim、Angelica M. Bello、Noruê Salum、Yulia Katsman、Madeleine C. Bareau、Donald R. Branch、Lakshmi P. Kotra

  DOI：10.1016/j.bmc.2014.03.016

  日期：2014.5

  Idiopathic or immune thrombocytopenia (ITP) is a serious clinical disorder involving the destruction of platelets by macrophages. Small molecule therapeutics are highly sought after to ease the burden on current therapies derived from human sources. Earlier, we discovered that dimers of five-membered heterocycles exhibited potential to inhibit phagocytosis of human RBCs by macrophages. Here, we reveal a structure-activity relationship of the bis-pyrazole class of molecules with -C-C-, -C-N- and -C-O- linkers, and their evaluation as inhibitors of phagocytosis of antibody-opsonized human RBCs as potential therapeutics for ITP. We have uncovered three potential candidates, 37, 47 and 50, all carrying a different linker connecting the two pyrazole moieties. Among these compounds, hydroxypyrazole derivative 50 is the most potent compound with an IC50 of 14 +/- 9 mu M for inhibiting the phagocytosis of antibody-opsonized human RBCs by macrophages. None of the compounds exhibited significant potential to induce apoptosis in peripheral blood mononuclear cells (PBMCs). Current study has revealed specific functional features, such as up to 2-atom spacer arm and alkyl substitution at one of the N-1 positions of the bivalent pyrazole core to be important for the inhibitory activity. (C) 2014 Elsevier Ltd. All rights reserved.