N-cyclohexyl-N'-Boc-ethane-1,2-diamine | 773899-06-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-cyclohexyl-N'-Boc-ethane-1,2-diamine
• 英文别名: tert-butyl [2-(cyclohexylamino)ethyl]carbamate；tert-butyl N-[2-(cyclohexylamino)ethyl]carbamate
• CAS: 773899-06-2
• 化学式: C₁₃H₂₆N₂O₂
• 分子量: 242.362
• InChiKey: IAZUDQAVNBURCU-UHFFFAOYSA-N

物化性质

• 沸点：
  363.0±25.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-cyclohexyl-N'-Boc-ethane-1,2-diamine 在 盐酸 作用下， 以 水 、 异丙醇 为溶剂， 以82%的产率得到1-(N-cyclohexyl)-1,2-diaminoethane dihydrochloride
  参考文献：
  名称：

  Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes

  摘要：

  Investigations of the influence of bulky groups in the equatorial ligand sphere of platinum(IV) compounds on the complexes' stability and reaction pattern were performed. Four dihydroxidoplatinum(IV) complexes were reacted with anhydrides, cinnamoyl chloride, and n-propyl isocyanate and yielded the symmetric dicarboxylated products or, if steric hindrance was observed, unsymmetrically substituted monocarboxylated analogues. With the aim of raising the steric demand, the following ligands were chosen: N-cycloheitylethane-1,2-diamine, N,N-dimethylethane-1,2-diamine, N,N-diethylethane-1,2-diamine, and N,N-diisopropylethane-1,2-diamine. All of the novel complexes were characterized by electrospray ionization mass spectrometry (ESI-MS), one- and two-dimensional NMR spectroscopy, elemental analysis, and reversed-phase HPLC; complexes B3, C3, C6, and D4 were also analyzed by X-ray diffraction. Additionally, the cytotoxicities of 10 compounds toward the cisplatin-sensitive cell line CH1 and the intrinsically cisplatin-resistant cell lines A549 and SW480 were investigated, and IC50 values down to the nanomolar range were found. To aid in the interpretation of structure-activity relationships, log k(w) values as a measure for the lipophilicity were determined for all of the new complexes, and the rates of reduction of C1, C3, and C4 relative to satraplatin were determined by means of NMR spectroscopy and ESI-MS.

  DOI：

  10.1021/ic400816g
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以79%的产率得到N-cyclohexyl-N'-Boc-ethane-1,2-diamine
  参考文献：
  名称：

  Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes

  摘要：

  Investigations of the influence of bulky groups in the equatorial ligand sphere of platinum(IV) compounds on the complexes' stability and reaction pattern were performed. Four dihydroxidoplatinum(IV) complexes were reacted with anhydrides, cinnamoyl chloride, and n-propyl isocyanate and yielded the symmetric dicarboxylated products or, if steric hindrance was observed, unsymmetrically substituted monocarboxylated analogues. With the aim of raising the steric demand, the following ligands were chosen: N-cycloheitylethane-1,2-diamine, N,N-dimethylethane-1,2-diamine, N,N-diethylethane-1,2-diamine, and N,N-diisopropylethane-1,2-diamine. All of the novel complexes were characterized by electrospray ionization mass spectrometry (ESI-MS), one- and two-dimensional NMR spectroscopy, elemental analysis, and reversed-phase HPLC; complexes B3, C3, C6, and D4 were also analyzed by X-ray diffraction. Additionally, the cytotoxicities of 10 compounds toward the cisplatin-sensitive cell line CH1 and the intrinsically cisplatin-resistant cell lines A549 and SW480 were investigated, and IC50 values down to the nanomolar range were found. To aid in the interpretation of structure-activity relationships, log k(w) values as a measure for the lipophilicity were determined for all of the new complexes, and the rates of reduction of C1, C3, and C4 relative to satraplatin were determined by means of NMR spectroscopy and ESI-MS.

  DOI：

  10.1021/ic400816g

文献信息

• [EN] PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS<br/>[FR] DERIVÉS DE PYRIDAZINONE INHIBITEURS DE LA PARP
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2009063244A1

  公开（公告）日：2009-05-22

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of poly(ADP-ribose)polymerase (PARP) and thus useful for the treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes mellitus, neurodegenerative diseases, retroviral infections, retinaldamage, skin senescence and UV-induced skin damage, and as chemo-or radiosensitizers for cancer treatment.

  本发明涉及式(I)化合物及其药用可接受的盐或互变异构体，它们是聚(ADP-核糖)聚合酶（PARP）的抑制剂，因此可用于治疗癌症、炎症性疾病、再灌注损伤、缺血情况、中风、肾衰竭、心血管疾病、非心血管疾病的血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤、皮肤老化和紫外线诱导的皮肤损伤，并用作癌症治疗的化疗或放射敏化剂。
• Ophthalmic compositions for treating ocular hypertension
  申请人：Boyd A. Edward

  公开号：US20060069256A1

  公开（公告）日：2006-03-30

  This invention relates to the use of potent potassium channel blockers or a formulation thereof in the treatment of glaucoma and other conditions which leads to elevated intraoccular pressure in the eye of a patient. This invention also relates to the use of such compounds to provide a neuroprotective effect to the eye of mammalian species, particularly humans.

  本发明涉及使用有效的钾离子通道阻滞剂或其制剂来治疗青光眼和其他导致患者眼内压升高的疾病。本发明还涉及使用这些化合物为哺乳动物（尤其是人类）的眼提供神经保护作用。
• ANTIDEPRESSANT COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP3564253A1

  公开（公告）日：2019-11-06

  An antidepressant steroid compound and a preparation method and an application thereof; the structure of said compound is shown in formula (I), and the definition of each substituent is as described in the description and claims. Compound of the present invention may be used in the prevention, treatment, therapy or alleviation of a plurality of diseases and conditions such as depression.

  一种抗抑郁类固醇化合物及其制备方法和应用；所述化合物的结构如式（I）所示，各取代基的定义如说明书和权利要求书所述。本发明的化合物可用于预防、治疗、治疗或缓解多种疾病和病症，如抑郁症。
• Antidepressant compound and preparation method and application thereof
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US11142543B2

  公开（公告）日：2021-10-12

  An antidepressant steroid compound and a preparation method and an application thereof; the structure of said compound is shown in formula (I), and the definition of each substituent is as described in the description and claims. Compound of the present invention may be used in the prevention, treatment, therapy or alleviation of a plurality of diseases and conditions such as depression.

  一种抗抑郁类固醇化合物及其制备方法和应用；所述化合物的结构如式（I）所示，各取代基的定义如说明书和权利要求书所述。本发明的化合物可用于预防、治疗、治疗或缓解多种疾病和病症，如抑郁症。
• EP1610776A2
  申请人：——

  公开号：EP1610776A2

  公开（公告）日：2006-01-04