1-乙基-4-氨基哌啶 | 50534-45-7

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-乙基-4-氨基哌啶
• 中文别名: 4-氨基-1-乙基哌啶；N-乙基-4-氨基哌啶
• 英文名称: 4-amino-N-ethylpiperidine
• 英文别名: 1-Ethyl-piperidin-4-ylamine；(1-ethyl-4-piperidinyl)amine；4-amino-1-ethylpiperidine；1-ethyl-4-piperidinamine；1-ethylpiperidin-4-amine
• CAS: 50534-45-7
• 化学式: C₇H₁₆N₂
• mdl: MFCD03640283
• 分子量: 128.217
• InChiKey: UFETTXCVHFVMPU-UHFFFAOYSA-N

物化性质

• 沸点：
  52-54°C/46mm
• 密度：
  1.4725

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  2735
• 危险性描述：
  H314

反应信息

• 作为反应物：
  描述：

  1-乙基-4-氨基哌啶 在 铜 、 potassium carbonate 、 sodium amide 、 甲苯 、 xylene 作用下， 生成 N-(1-ethyl-[4]piperidyl)-N-benzyl-N',N'-dimethyl-ethylenediamine
  参考文献：
  名称：

  组胺拮抗剂；4-氨基哌啶的衍生物。

  摘要：

  DOI：

  10.1021/ja01192a011
• 作为产物：
  描述：

  4-(N-苄氧羰基)-氨基哌啶 在 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 25.0h， 生成 1-乙基-4-氨基哌啶
  参考文献：
  名称：

  Discovery of 2-substituted 1 H -benzo[ d ]immidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in vivo anti-tumor activity

  摘要：

  Novel 1H-benzo[d]immidazole-4-carboxamide derivatives bearing five-membered or six-membered N-heterocyclic moieties at the 2-position were designed and synthesized as PARP-1 inhibitors. Structure activity relationships were conducted and led to a number of potent PARP-1 inhibitors having IC50 values in the single or double digit nanomolar level. Some potent PARP-1 inhibitors also had similar inhibitory activities against PARP-2. Among all the synthesized compounds, compound 10a and 11e displayed strong potentiation effects on temozolomide (TMZ) in MX-1 cells (PF50 = 7.10, PF50 = 4.17). In vivo tumor growth inhibition was investigated using compound 10a in combination with TMZ, and it was demonstrated that compound 10a could strongly potentiate the cytotoxicity of TMZ in MX-1 xenograft tumor model. Two co-crystal structures of compounds 11b and 15e complexed with PARP-1 were achieved and demonstrated a unique binding mode of these benzo-imidazole derivatives. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.03.013

文献信息

• [EN] PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5<br/>[FR] DÉRIVÉS DE PYRROLCARBOXAMIDE POUR L'INHIBITION DE L'ERK5
  申请人：CANCER REC TECH LTD

  公开号：WO2016042341A1

  公开（公告）日：2016-03-24

  The invention provides compounds of formula (I) or a tautomer, stereoisomer, N-oxide, pharmaceutically acceptable salt or solvate thereof. The compounds are useful for the prophylaxis or treatment of a disease state or condition mediated by ERK5, in particular cancers.

  这项发明提供了式(I)的化合物或其互变异构体、立体异构体、N-氧化物、药用可接受的盐或溶剂。这些化合物对于预防或治疗由ERK5介导的疾病状态或病况，特别是癌症，具有用处。
• Heterobicyclic pyrazole compounds and methods of use
  申请人：Blake F. James

  公开号：US20070238726A1

  公开（公告）日：2007-10-11

  Compounds of Formulas Ia and Ib, and stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting receptor tyrosine kinases and for treating disorders mediated thereby. Methods of using compounds of Formula Ia and Ib, and stereoisomers, geometric isomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  化合物Ia和Ib的结构，以及其立体异构体、几何异构体、互变异构体、溶剂合物、代谢物和药学上可接受的盐，可用于抑制受体酪氨酸激酶并治疗由此介导的疾病。公开了使用化合物Ia和Ib的结构，以及其立体异构体、几何异构体、互变异构体、溶剂合物和药学上可接受的盐的方法，用于体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这类疾病，或相关的病理条件。
• HALO-SUBSTITUTED PYRIMIDODIAZEPINES
  申请人：Cai Jianping

  公开号：US20090318408A1

  公开（公告）日：2009-12-24

  The present invention provides PLK1 inhibitor compounds of formula I: useful in the treatment or control of cell proliferative disorders, particularly oncological disorders. These compounds and formulations containing such compounds may be useful in the treatment or control of solid tumors, such as, for example, breast, colon, lung and prostate tumors and other oncological diseases such as non-Hodgkin's lymphomas. Also provided are intermediate compounds useful in the synthesis of compounds of formula I.

  本发明提供了公式I的PLK1抑制剂化合物： 用于治疗或控制细胞增殖性疾病，特别是肿瘤性疾病。这些化合物和含有这些化合物的配方可能在治疗或控制实体肿瘤方面有用，例如乳腺癌、结肠癌、肺癌和前列腺癌等固体肿瘤，以及非霍奇金淋巴瘤等其他肿瘤性疾病。还提供了在合成公式I化合物中有用的中间体化合物。
• Optimization of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidines to generate a highly selective PI3Kδ inhibitor
  作者：Toshihiro Hamajima、Fumie Takahashi、Koji Kato、Yukihito Sugano、Susumu Yamaki、Daisuke Suzuki、Ayako Moritomo、Satoshi Kubo、Koji Nakamura、Kaoru Yamagami、Koji Yokoo、Hidehiko Fukahori

  DOI：10.1016/j.bmc.2019.02.001

  日期：2019.3

  Chemical optimization of the 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (THPP) scaffold was conducted with a focus on cellular potency while maintaining high selectivity against PI3K isoforms. Compound 11f was identified as a potent, highly selective and orally available PI3Kδ inhibitor. In addition, 11f exhibited efficacy in an in vivo antibody production model. The desirable drug-like properties and

  对5,6,7,8-四氢吡啶并[4,3-d]嘧啶（THPP）支架进行化学优化，重点是细胞效能，同时保持对PI3K同工型的高选择性。化合物11f被确定为有效的，高度选择性的和口服可得的PI3Kδ抑制剂。此外，11f在体内抗体产生模型中显示出功效。11f的理想药物样特性和体内功效表明其作为治疗自身免疫性疾病和白细胞恶性肿瘤的候选药物的潜力。
• Modification of 3-arylisoquinolines into 3,4-diarylisoquinolines and assessment of their cytotoxicity and topoisomerase inhibition
  作者：Daulat Bikram Khadka、Hyunjung Woo、Su Hui Yang、Chao Zhao、Yifeng Jin、Thanh Nguyen Le、Youngjoo Kwon、Won-Jea Cho

  DOI：10.1016/j.ejmech.2015.01.016

  日期：2015.3

  Isoquinolinamine derivatives had greater affinity for topo I than for topo II. Topo inhibition by 3,4-diarylisoquinolines was further supported by docking models showing intercalative and/or H-bond interactions between these compounds and the DNA/topo(s). An analysis of the correlation between the cytotoxicity and topo inhibition of these compounds indicated that the primary biological target of derivatives with

  受到单芳基异喹啉的初步成功的启发，并寻求寻找具有拓扑异构酶（拓扑）抑制活性的更有效和选择性的抗癌药，设计并合成了一系列二芳基异喹啉（3,4-二芳基异喹啉酮和3,4-二芳基异喹啉胺）。这些化合物的合成主要涉及锂化甲苯酰胺-苄腈的环加成，Suzuki偶联和亲核芳族取代反应。其中八种衍生物对人乳腺导管上皮肿瘤细胞（T47D），人前列腺癌细胞（DU145）和人结肠直肠腺癌细胞（HCT-15）有选择性毒性，但对正常人乳腺上皮细胞（MCF10A）没有影响。二芳基异喹啉化合物的拓扑抑制活性相对取决于它们的化学结构。3，4-二芳基异喹诺酮类通常不抑制topo I，而仅表现出对topo II的中等抑制作用。相反，几种3,4-二芳基异喹啉胺显示出优异的topo I抑制活性。异喹啉胺衍生物对topo I的亲和力大于对topo II的亲和力。对接模型进一步支持了3,4-二芳基异喹啉对拓扑的抑制作用，该模型显示了这些化合物与DNA