4-哌啶丁醇 | 57614-92-3

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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: 4-哌啶丁醇
• 中文别名: 4-(4-哌啶基)-1-丁醇
• 英文名称: 4-(piperidin-4-yl)butan-1-ol
• 英文别名: 4-(piperidin-4-yl)butanol；4-piperidin-4-yl-butan-1-ol；4-(4-piperidyl)-1-butanol；4-piperidin-4-ylbutan-1-ol
• CAS: 57614-92-3
• 化学式: C₉H₁₉NO
• mdl: MFCD02178381
• 分子量: 157.256
• InChiKey: YRKCHKQZWFMCPB-UHFFFAOYSA-N

物化性质

• 熔点：
  57-60 °C
• 沸点：
  122 °C(Press: 12 Torr)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-哌啶丁醇 在 氢溴酸 、 一水合肼 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 11.0h， 生成 3-(1-benzylpiperidin-4-yl)propan-1-amine
  参考文献：
  名称：

  M2 Subtype preferring dibenzodiazepinone-type muscarinic receptor ligands: Effect of chemical homo-dimerization on orthosteric (and allosteric?) binding

  摘要：

  A series of new dibenzodiazepinone-type muscarinic receptor ligands, including two homo-dimeric compounds, was prepared. Sixteen representative compounds were characterized in equilibrium binding studies with [H-3]N-methylscopolamine ([H-3]NMS) at the muscarinic receptor subtype M-2, and seven selected compounds were additionally investigated at M-1, M-3, M-4 and M-5 with respect to receptor subtype selectivity. The side chain of the known M-2 preferring muscarinic receptor antagonist DIBA was widely varied with respect to chain length and type of the basic group (amine, imidazole, guanidine and piperazine). Most of the structural changes were well tolerated with respect to muscarinic receptor binding, determined by displacement of [H-3]NMS. Compounds investigated at all subtypes shared a similar selectivity profile, which can be summarized as M-2 > M-1 approximate to M-4 > M-3 approximate to M-5 (46, 50, 57, 62-64) and M-2 > M-1 approximate to M-4 > M-3 > M-5 (1, 58). The homo-dimeric dibenzodiazepinone derivatives UNSW-MK250 (63) and UNSW-MK262 (64) exhibited the highest M-2 receptor affinities (pIC(50) = 9.0 and 9.2, respectively). At the M-2 receptor a steep curve slope of -2 was found for the dimeric ligand 63, which cannot be described according to the law of mass action, suggesting a more complex mechanism of binding. In addition to equilibrium binding studies, for selected ligands, we determined pEC(50,diss), an estimate of affinity to the allosteric site of M-2 receptors occupied with [H-3]NMS. Compounds 58 and 62-64 were capable of retarding [H-3]NMS dissociation by a factor > 10 (E-max,E-diss >92%), with highest potency (pEC(50,diss) = 5.56) residing in the dimeric compound 64. As the monomeric counterpart of 64 was 100 times less potent (62: pEC(50),(diss) = 3.59), these data suggest that chemical dimerization of dibenzodiazepinone-type M receptor ligands can enhance allosteric binding. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.01.015
• 作为产物：
  描述：

  4-哌啶丁酸盐酸盐 在 lithium aluminium tetrahydride 、 水 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 7.17h， 以77%的产率得到4-哌啶丁醇
  参考文献：
  名称：

  烟酰胺磷酸核糖基转移酶（NAMPT）抑制剂FK866的C-亚氨基呋喃呋喃糖苷类似物的合成

  摘要：

  FK866（也称为APO866或WK175）是一种有效的NAMPT抑制剂，正在接受评估（阶段II），作为一种潜在的抗癌药物。的制备Ç -iminoribofuranoside类似物（2 ë - ）ñ - [4-（1-苯甲酰哌啶-4-基）丁基] -3- {3 - [（2小号，3小号，4 - [R，5 - [R ）-报告了3,4-二羟基-5-（羟甲基）吡咯烷-2--2-基]苯基} prop-2-烯酰胺（（-）- 1）。

  DOI：

  10.1002/hlca.201100415

文献信息

• [EN] PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS.<br/>[FR] DÉRIVÉS DE PYRIMIDINE, PYRIDINE ET TRIAZINE EN TANT QU'OUVREURS DE CANAUX MAXI-K
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2009125870A1

  公开（公告）日：2009-10-15

  A compound of formula (A); wherein ring A is an aromatic ring or a heteroaromatic ring; R1 is independently halogen, cyano, etc., each of X1, X2 and X3 is CR2 or nitrogen, R2 is independently hydrogen, etc., n is 0, 1, 2, 3 or 4; -D-Y is -O-CH2COOH, etc, and G is a substituted amino, a substituted heterocyclic group, etc, or a pharmaceutical acceptable salt thereof, has activities of opening BK channels.

  化合物的结构式（A）；其中环A是芳香环或杂芳环；R1独立地是卤素、氰基等；X1、X2和X3中的每一个是CR2或氮，R2独立地是氢等；n为0、1、2、3或4；-D-Y是-O-CH2COOH等；G是取代氨基、取代杂环基等，或其药用可接受盐，具有开放BK通道的活性。
• 부스피론 유도체 및 이를 함유하는 약학 조성물
  申请人：Korea University Research and Business Foundation 고려대학교 산학협력단(220040170680) BRN ▼209-82-08298

  公开号：KR101663543B1

  公开（公告）日：2016-10-07

  본 발명은 부스피린 유도체와 이를 함유하는 약학 조성물에 관한 것으로서, 보다 구체적으로는 신규 부스피린 유도체 및 고혈압 질환을 치료하거나 예방하는 약학 조성물에 관한 것이다. 본 발명에 따른 부스피론 유도체는 기존에 스트레스성 질환에 치료 효과가 있는 것으로 알려진 부스피론에 관해, 다른 병증의 치료에도 효과가 있는 신규한 부스피론 유도체에 해당하는 것이다. 또한 본 발명에 따른 혈압질환의 치료 및 예방용 조성물은 상기 부스피론 유도체를 활용하여 고혈압 등의 혈압질환을 치료하거나 예방하는 것이 가능한 것으로서 부스피론의 활용폭을 새롭게 넓힌 발명이다. 특히 이러한 부스피론 유도체는 스트레스성 질환의 치료에만 이용되던 부스피론을 고혈압 치료라는 새로운 용도에 활용하도록 하였다. 또한 인위적으로 혈압을 하강시키는 것이 아닌 본태성 고혈압이나 원발성 고혈압의 원인을 규명하여 고혈압을 치료하거나 예방하는 효과가 있다.

  本发明涉及一种含有布斯匹林衍生物的药学组合物，更具体地涉及一种用于治疗或预防高血压疾病的新型布斯匹林衍生物及药学组合物。根据本发明，布斯匹隆衍生物是指一种新型的布斯匹隆衍生物，其在治疗应激性疾病方面已知具有疗效，同时对其他疾病的治疗也有效。此外，根据本发明，用于治疗和预防高血压疾病的组合物利用上述布斯匹隆衍生物，可以治疗或预防高血压等血压疾病，从而扩大了布斯匹隆的应用范围。特别是这些布斯匹隆衍生物将原本仅用于治疗应激性疾病的布斯匹隆应用于治疗高血压等新用途。此外，它不仅人为降低血压，还可以确定原发性高血压的根本原因，从而治疗或预防高血压。
• Platinum-Catalyzed, Terminal-Selective C(sp³)–H Oxidation of Aliphatic Amines
  作者：Melissa Lee、Melanie S. Sanford

  DOI：10.1021/jacs.5b09099

  日期：2015.10.14

  C(sp(3))-H oxidation of aliphatic amines without the requirement for directing groups. CuCl2 is employed as a stoichiometric oxidant, and the reactions proceed in high yield at Pt loadings as low as 1 mol%. These transformations are conducted in the presence of sulfuric acid, which reacts with the amine substrates in situ to form ammonium salts. We propose that protonation of the amine serves at least

  本通讯描述了脂肪胺的终端选择性、Pt 催化的 C(sp(3))-H 氧化，无需定向基团。CuCl2 用作化学计量氧化剂，在 Pt 负载量低至 1 mol% 的情况下，反应以高产率进行。这些转化是在硫酸存在下进行的，硫酸与胺底物原位反应形成铵盐。我们建议胺的质子化至少起到三个重要作用：（i）它使底物可溶于水性反应介质中；(ii) 它限制胺氮与 Pt 或 Cu 的结合；(iii) 它以电子方式使靠近氮中心的 CH 键失活。我们证明该策略对各种伯胺、仲胺和叔胺的终端选择性 C(sp(3))-H 氧化是有效的。
• [EN] 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 2-PYRAZINYLBENZIMIDAZOLE EN TANT QU'INHIBITEURS DES RÉCEPTEURS TYROSINE KINASE
  申请人：ASTRAZENECA AB

  公开号：WO2009024825A1

  公开（公告）日：2009-02-26

  The invention concerns pyrazine derivatives of Formula (I) or a pharmaceutically-acceptable salt thereof, wherein each of G1, G2, Ring A, R1, m, R2, R3, n and R4 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositionscontaining them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  本发明涉及式（I）的吡嗪衍生物或其药用可接受的盐，其中G1、G2、环A、R1、m、R2、R3、n和R4中的每一个具有在描述中之前定义的任何含义；其制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖性疾病的药物中的用途。
• [EN] GPR119 AGONISTS<br/>[FR] AGONISTES DE GPR119
  申请人：KALLYOPE INC

  公开号：WO2021071837A1

  公开（公告）日：2021-04-15

  This disclosure is directed, at least in part, to GPR119 agonists useful for the treatment of conditions or disorders involving the gut-brain axis. In some embodiments, the GPR119 agonists are gut-restricted compounds. In some embodiments, the condition or disorder is a metabolic disorder, such as diabetes, obesity, nonalcoholic steatohepatitis (NASH), or a nutritional disorder such as short bowel syndrome.

  本公开涉及GPR119激动剂，至少部分用于治疗涉及肠脑轴的疾病或疾病。在某些实施例中，GPR119激动剂是肠限制化合物。在某些实施例中，该疾病或疾病是代谢性疾病，如糖尿病、肥胖症、非酒精性脂肪肝炎（NASH）或营养紊乱，如短肠综合征。