3-(哌啶-4-基)丙酸乙酯盐酸盐 | 473987-06-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-(哌啶-4-基)丙酸乙酯盐酸盐
• 中文别名: 4-哌啶丙酸甲酯盐酸盐
• 英文名称: ethyl piperidine-4-propionate hydrochloride
• 英文别名: ethyl 3-(4-piperidinyl)propanoate hydrochloride；ethyl 3-(piperidin-4-yl)propanoate hydrochloride；3-[4]piperidyl-propionic acid ethyl ester; hydrochloride；3-[4]Piperidyl-propionsaeure-aethylester; Hydrochlorid；ethyl 3-(piperidin-4-yl)propionate hydrochloride；ethyl 3-piperidin-4-ylpropanoate;hydrochloride
• CAS: 473987-06-3
• 化学式: C₁₀H₁₉NO₂*ClH
• mdl: MFCD17169869
• 分子量: 221.727
• InChiKey: QUXBQANXXKTODS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3-(哌啶-4-基)丙酸乙酯盐酸盐 在 sodium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 1-N-BOC-4-哌啶丙酸
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationships of potent GPIIb/IIIa antagonists: discovery of FK419

  摘要：

  The discovery of the non-peptide antiplatelet injectable agent FK419 is reported. Based on the P-turn structure of RGD peptide sequences in the a chain of fibrinogen, which binds the glycoprotein IIb/IIIa (GPIIb/IIIa) on the surface of platelets to induce platelet aggregation, the prototype 2 was designed. After further substituent effects were investigated at the a-position of the carboxylic acid in 2, we enhanced platelet aggregation inhibition, and discovered the useful feature of reduced prolongation of bleeding time. Finally, the potent platelet aggregation inhibitor FK419 (3) could be discovered. FK419 shows a safe feature of reduced prolongation of bleeding time, as well as potent inhibition of platelet aggregation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.056
• 作为产物：
  描述：

  ethyl (E)-3-(4-pyridyl)propenoate 在 platinum(IV) oxide 盐酸 、 氢气 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 5.0h， 以88%的产率得到3-(哌啶-4-基)丙酸乙酯盐酸盐
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationships of potent GPIIb/IIIa antagonists: discovery of FK419

  摘要：

  The discovery of the non-peptide antiplatelet injectable agent FK419 is reported. Based on the P-turn structure of RGD peptide sequences in the a chain of fibrinogen, which binds the glycoprotein IIb/IIIa (GPIIb/IIIa) on the surface of platelets to induce platelet aggregation, the prototype 2 was designed. After further substituent effects were investigated at the a-position of the carboxylic acid in 2, we enhanced platelet aggregation inhibition, and discovered the useful feature of reduced prolongation of bleeding time. Finally, the potent platelet aggregation inhibitor FK419 (3) could be discovered. FK419 shows a safe feature of reduced prolongation of bleeding time, as well as potent inhibition of platelet aggregation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.056

文献信息

• Synthesis of Novel 4,1-Benzoxazepine Derivatives as Squalene Synthase Inhibitors and Their Inhibition of Cholesterol Synthesis
  作者：Takashi Miki、Masakuni Kori、Hiroshi Mabuchi、Ryu-ichi Tozawa、Tomoyuki Nishimoto、Yasuo Sugiyama、Koichiro Teshima、Hidefumi Yukimasa

  DOI：10.1021/jm020234o

  日期：2002.9.1

  for squalene synthase and cholesterol synthesis in the liver was investigated. Among these compounds, the glycine derivative 3a and beta-alanine derivative 3f exhibited the most potent inhibition of squalene synthase prepared from HepG2 cells (IC(50) = 15 nM). On the other hand, the piperidine-4-acetic acid derivative 4a, which was prepared by acetylation of 3j, was the most effective inhibitor of cholesterol

  进行了3位羧基的修饰，并将保护基引入到4,1-苯并氮杂pine庚因衍生物2（代谢物为1）的羟基上，并抑制了鲨烯合酶和肝脏胆固醇的合成被调查了。在这些化合物中，甘氨酸衍生物3a和β-丙氨酸衍生物3f对从HepG2细胞制备的鲨烯合酶表现出最强的抑制作用（IC（50）= 15 nM）。另一方面，通过3j乙酰化制备的哌啶-4-乙酸衍生物4a是大鼠肝脏中胆固醇合成的最有效抑制剂（ED（50）= 2.9 mg / kg，口服）。口服后，4a被吸收并迅速水解为脱酰3j。化合物3j主要在肝脏中检测到，但发现血浆3j较低。发现化合物3j和4a相对于焦磷酸法呢酯是竞争性抑制剂。4a作为降胆固醇和抗动脉粥样硬化剂的进一步评估正在进行中。
• Pyrazolopyrimidine compound and a process for preparing the same
  申请人：Takamuro Iwao

  公开号：US20060135525A1

  公开（公告）日：2006-06-22

  The present invention provides a novel pyrazolopyrimidine compound of the formula [I]: wherein R′ is (A) a substituted aryl group, (B) an optionally substituted nitrogen-containing aliphatic heteromonocyclic group, (C) a substituted cyclo-lower alkyl group, (D) an optionally substituted amino group, or (E) a substituted heteroaryl group, R 2 is (a) an optionally substituted heteroaryl group or (b) an optionally substituted aryl group, Y is a single bond, a lower alkylene group or a lower alkenylene group, Z is a group of the formula: —CO—, —CH2-, S02- or a group of the formula [II]: Q is a lower alkylene group, and q is an integer of 0 or 1 or a pharmaceutically acceptable sait thereof, which has a small conductance potassium channel (SK channel) blocking activity and is useful as a medicament and a process for preparing the same.

  本发明提供了一种新型的吡唑嘧啶化合物，其化学式为[I]：其中R′为（A）取代芳基，（B）可选取代的含氮脂肪杂环基，（C）取代的环低烷基，（D）可选取代的氨基或（E）取代的杂环芳基；R2为（a）可选取代的杂环芳基或（b）可选取代的芳基；Y为单键，低碳基烷基或低碳基烯基；Z为式[II]的基团：其中Q为低碳基烷基，q为0或1的整数，或其药学上可接受的盐。该化合物具有小电导钾通道（SK通道）阻滞活性，并可作为药物使用，以及其制备方法。
• Benzofuran derivative
  申请人：Kawaguchi Takayuki

  公开号：US20050282808A1

  公开（公告）日：2005-12-22

  The present invention provides a benzofuran derivative of the formula [1]: wherein x is a group of the formula: —N═ or —CH═; Y is an optionally substituted amino group, an optionally substituted cycloalkyl group or an optionally substituted saturated heterocyclic group; A is a single bond, a carbon chain optionally having a double bond within or at the end(s) of the chain, or an oxygen atom; R 1 is a hydrogen atom or a halogen atom; Ring B is an optionally substituted benzene ring; and R 3 is a hydrogen atom, or a pharmaceutically acceptable salt thereof, which is useful as a medicament, especially as an activated blood coagulation factor X inhibitor.

  本发明提供了一种苯并呋喃衍生物，其化学式为[1]：其中x是公式：—N═或—CH═的基团；Y是可选取的取代氨基、可选取的取代环烷基或可选取的饱和杂环基团；A是单键、可选取的具有双键或位于链的末端的碳链或氧原子；R1是氢原子或卤素原子；环B是可选取的取代苯环；R3是氢原子或其药学上可接受的盐，该化合物作为药物特别是激活的血凝血因子X抑制剂。
• Trans-2-decenoic acid derivative and drug containing same
  申请人：NIPPON ZOKI PHARMACEUTICAL CO., LTD.

  公开号：US09428477B2

  公开（公告）日：2016-08-30

  The present invention relates to a novel trans-2-decenoic acid derivative or a pharmaceutically acceptable salt thereof, and a pharmaceutical agent containing the compound as an active ingredient. The trans-2-decenoic acid derivative or a pharmaceutically acceptable salt, which is the compound of the present invention, is specifically represented by the general formula (I): wherein X is a substituent such as a 1-pyrrolidyl, a 3-thiazolizyl, or a piperidino, and the compound is highly useful as a pharmaceutical agent, such as a prophylactic or therapeutic agent for a peripheral nerve disorder induced by administration of an anticancer agent, a prophylactic or therapeutic agent for neurodegenerative diseases or mental diseases such as dementia, Alzheimer's disease, Parkinson's disease, diabetic neuropathy, depression, glaucoma, or autistic disorder spectrum, a therapeutic or repairing agent for spinal cord injury, analgesics against various pain diseases, or the like.

  本发明涉及一种新型的反式-2-癸烯酸衍生物或其药学上可接受的盐，以及含有该化合物作为活性成分的药物制剂。该反式-2-癸烯酸衍生物或其药学上可接受的盐，即本发明的化合物，特别由通式（I）表示，其中X是诸如1-吡咯基、3-噻唑啉基或哌啶基等取代基，该化合物作为药物制剂非常有用，例如用作抗癌药物引起的周围神经障碍的预防或治疗剂、神经退行性疾病或精神疾病如痴呆、阿尔茨海默病、帕金森病、糖尿病神经病变、抑郁症、青光眼或自闭症谱系障碍的预防或治疗剂、脊髓损伤的治疗或修复剂、用于各种疼痛疾病的止痛剂等。
• Benzofuran Derivatives
  申请人：Kawaguchi Takayuki

  公开号：US20090209511A1

  公开（公告）日：2009-08-20

  The present invention provides a benzofuran derivative of the formula [1]: wherein x is a group of the formula: —N═ or —CH═; Y is an optionally substituted amino group, an optionally substituted cycloalkyl group or an optionally substituted saturated heterocyclic group; A is a single bond, a carbon chain optionally having a double bond within or at the end(s) of the chain, or an oxygen atom; R 1 is a hydrogen atom or a halogen atom; Ring B is an optionally substituted benzene ring; and R 3 is a hydrogen atom, or a pharmaceutically acceptable salt thereof, which is useful as a medicament, especially as an activated blood coagulation factor X inhibitor.

  本发明提供了式[1]的苯并呋喃衍生物：其中x是式：—N═或—CH═的基团；Y是可选取代的氨基基团、可选取代的环烷基团或可选取代的饱和杂环基团；A是单键、具有双键的碳链（可在链的内部或端部）或氧原子；R1是氢原子或卤原子；环B是可选取代的苯环；R3是氢原子或其药学上可接受的盐，其作为药物特别是作为激活的血凝因子X抑制剂有用。