5-(哌啶-1-基)戊酸盐酸 | 49637-20-9

• 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
• 中文名称: 5-(哌啶-1-基)戊酸盐酸
• 英文名称: N-(4-carboxybutyl)piperidinium chloride
• 英文别名: piperidinevaleric acid hydrochloride；5-(piperidin-1-yl)pentanoic acid hydrochloride；5-piperidinevaleric acid hydrogen chloride；5-(piperidin-1-yl)valeric acid hydrochloride；δ-piperidinovaleric acid hydrochloride；5-(piperdin-1-yl)valeric acid hydrochloride；5-Piperidino-valeriansaeure; Hydrochlorid；5-piperidino-valeric acid ; hydrochloride；5-piperidin-1-ylpentanoic acid;hydrochloride
• CAS: 49637-20-9
• 化学式: C₁₀H₁₉NO₂*ClH
• mdl: MFCD18483274
• 分子量: 221.727
• InChiKey: DHPWBXBFXOJSNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.24
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3,4-二氨基苯甲腈 、 5-(哌啶-1-基)戊酸盐酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 5-piperidin-1-yl-pentanoic acid-(2-amino-5-cyano-phenyl)-amide
  参考文献：
  名称：

  BASIC AMINE COMPOUND AND USE THEREOF

  摘要：

  公开号：

  EP1724263B1
• 作为产物：
  描述：

  ethyl 5-piperidinevalerate 在 盐酸 、 水 作用下， 反应 8.0h， 生成 5-(哌啶-1-基)戊酸盐酸
  参考文献：
  名称：

  通过 MO 计算、X 射线衍射和 FTIR 光谱对 5-哌啶戊酸、5-(N-甲基哌啶)戊酸及其卤化氢进行构象分析

  摘要：

  摘要 5-(哌啶)戊酸 (1)、5-(N-甲基哌啶)戊酸 (2) 及其卤化氢 (3 和 4) 的最稳定构象异构体通过半经验 PM3 方法分析，并通过 B3LYP 选择化合物/6-31G(d,p) 方法。由于一些被研究的化合物是带电的，而其他的可能是中性的，一些有酸性质子，其他的则没有。它们能够形成离子键（通过带相反电荷的基团之间的库仑吸引力）或形成各种类型的氢键构象异构体。因此，这些化合物非常适合研究静电相互作用和氢键对构象异构体相对稳定性的重要性。对于含有 N-甲基哌啶单元的化合物，对于特定的构象异构体，带电基团之间的分子内吸引力静电相互作用对它们在气相中的相对稳定性起着关键作用。X− 离子与带正电的氮原子的静电相互作用降低了它们的质子受体特性，并且所有卤化氢中都存在 COOH⋯X− 氢键 (3)。根据 B3LYP 计算，5-哌啶戊酸与 HF 形成分子复合物，而与 HCl、HBr 和 HI

  DOI：

  10.1016/s0022-2860(98)00903-x

文献信息

• MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES
  申请人：THE UNIVERSITY OF BRITISH COLUMBIA

  公开号：US20180221279A1

  公开（公告）日：2018-08-09

  Drag derivatives are provided herein which are suitable for loading into liposomal nanoparticle carriers. In some preferred aspects, the derivatives comprise a poorly water-soluble drag derivatized with a weak-base moiety that facilitates active loading of the drag through a LN transmembrane pH or ion gradient into the aqueous interior of the LN. The weak-base moiety can optionally comprise a lipophilic domain that facilitates active loading of the drag to the inner monolayer of the liposomal membrane. Advantageously, LN formulations of the drag derivatives exhibit improved solubility, reduced toxicity, enhanced efficacy, and/or other benefits relative to the corresponding free drags.

  本文提供了适用于装载到脂质体纳米粒载体中的药物衍生物。在一些首选方面，这些衍生物包括一种水溶性较差的药物衍生物，其与一种弱碱基团衍生化，有助于通过LN跨膜pH或离子梯度将药物活性地装载到LN的水相内部。弱碱基团可以选择性地包括一个亲脂性结构域，有助于将药物活性地装载到脂质体膜的内单分子层。优点是，药物衍生物的LN配方相对于相应的游离药物表现出改善的溶解度、降低的毒性、增强的疗效和/或其他优点。
• 1-phenylalkanone 5-HT.sub.4 receptor ligands
  申请人：Syntex (U.S.A.) Inc.

  公开号：US05763458A1

  公开（公告）日：1998-06-09

  The present invention relates to novel 5-HT.sub.4 receptor ligands which are 1-(5-halo-4-aminophenyl) (C.sub.2-6)alkan-1-one derivatives in which the 5-halo-4-aminophenyl group is substituted at its 2-position with (C.sub.1-4)alkyloxy or phenyl(C.sub.1-4)alkyloxy and optionally substituted at its 3-position with (C.sub.1-4)alkyloxy or substituted at its 2- and 3-positions together with methylenedioxy or ethylenedioxy and the highest numbered carbon of the (C.sub.2-6)alkan-1-one is substituted with di(C.sub.1-4)alkylamino, morpholin-1-yl or pyrrolidin-1-yl or optionally substituted piperidin-1-yl, piperidin-4-yl, azacyclohept-1-yl, azabicyclo\x9b2.2.1!hept-3-yl, azabicylo\x9b2.2.2!oct-3-yl or azabicylo\x9b3.2.2!non-3-yl; and the pharmaceutically acceptable salts, individual isomers and mixtures of isomers and methods of using and making such derivatives.

  本发明涉及新型5-HT.sub.4受体配体，其为1-(5-卤代-4-氨基苯基)(C.sub.2-6)烷基-1-酮衍生物，其中5-卤代-4-氨基苯基基团在其2位被(C.sub.1-4)烷氧基或苯基(C.sub.1-4)烷氧基取代，并且在其3位可选择地被(C.sub.1-4)烷氧基取代，或者在其2位和3位一起被亚甲二氧基或乙二氧基取代，而(C.sub.2-6)烷基-1-酮的最高编号碳被二(C.sub.1-4)烷基氨基、吗啉-1-基或吡咯烷-1-基取代，或者可选择地被取代的哌啶-1-基、哌啶-4-基、氮杂环庚-1-基、氮杂双环\x9b2.2.1!庚-3-基、氮杂双环\x9b2.2.2!辛-3-基或氮杂双环\x9b3.2.2!壬-3-基取代；以及这些衍生物的药学上可接受的盐、各个异构体和异构体混合物，以及使用和制备这种衍生物的方法。
• [EN] IMPROVED APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF<br/>[FR] AGONISTES AMÉLIORÉS DU RÉCEPTEUR DE L'APÉLINE (APJ) ET LEURS UTILISATIONS
  申请人：RES TRIANGLE INST

  公开号：WO2017100558A1

  公开（公告）日：2017-06-15

  This disclosure is directed to agonists of the apelin receptor (APJ) and uses of such agonists.

  这项披露涉及到阿普林受体（APJ）的激动剂以及这些激动剂的用途。
• Heterocyclic esters of alkylphenyl benzopyranopyridines
  申请人：Abbott Laboratories

  公开号：US04081449A1

  公开（公告）日：1978-03-28

  Heterocyclic esters of alkylphenyl benzopyranopyridines represented by the formula ##STR1## wherein R.sub.1 is hydrogen, loweralkyl, loweralkanoyl, cycloalkylloweralkyl, cycloalkylloweralkanoyl, loweralkenyl, loweralkynyl, haloloweralkenyl, phenylloweralkyl, phenylloweralkenyl or phenylloweralkynyl; R.sub.2 is loweralkyl; R.sub.3 is ##STR2## WHEREIN X is a straight or branched chain alkylene group having from one to eight carbon atoms, a is an integer from 1 to 4, b is an integer from 1 to 4 and Z is CH.sub.2, O, S or NR.sub.7, with R.sub.7 being hydrogen or loweralkyl, with the limitation that when X is O, S or NR.sub.7, the sum of a and b is 3 or 4; and R.sub.8 is hydrogen or loweralkyl; Y is a straight or branched chain alkylene group having from one to ten carbon atoms; and each R.sub.4 and R.sub.5 and R.sub.6 are the same or different members of the group consisting of hydrogen, halo, trifluoromethyl or loweralkyl; and the pharmaceutically acceptable acid addition salts thereof.

  以式##STR1##所代表的烷基苯基苯并吡啶酮的杂环酯，其中R.sub.1是氢、低烷基、低烷酰、环烷基低烷基、环烷基低烷酰、低烯基、低炔基、卤代低烯基、苯基低烷基、苯基低烯基或苯基低炔基；R.sub.2是低烷基；R.sub.3是##STR2##其中X是具有1至8个碳原子的直链或支链烷基基团，a是1到4的整数，b是1到4的整数，Z是CH.sub.2、O、S或NR.sub.7，其中R.sub.7是氢或低烷基，限制条件是当X为O、S或NR.sub.7时，a和b的总和为3或4；R.sub.8是氢或低烷基；Y是具有1到10个碳原子的直链或支链烷基基团；每个R.sub.4和R.sub.5和R.sub.6是相同或不同的成员，包括氢、卤素、三氟甲基或低烷基；以及其药用可接受的酸盐。
• Anesthesia methods using benzopyrans and esters thereof as
  申请人：Abbott Laboratories

  公开号：US04025630A1

  公开（公告）日：1977-05-24

  Improved anesthesia methods comprising pretreating a patient to be anesthetized with a benzopyran of formula I ##STR1## wherein, in the C ring, X is NR.sub.1, S, CH.sub.2 or ##STR2## R.sub.1 is hydrogen, loweralkyl, loweralkenyl, loweralkynyl, loweralkanoyl, cycloalkyloweralkyl, cycloalkylloweralkanoyl, cycloalkyl, haloloweralkyl, haloloweralkenyl, phenylloweralkyl, phenyloweralkenyl or phenyloweralkylnyl; m is an integer from 0 to 3, n is an integer from 0 to 3 and n + m = 2 or 3; or the C ring is quinuclidine ring ##STR3## R.sub.2 is loweralkyl; R.sub.3 is hydrogen or ##STR4## wherein Y is a straight or branched chain alkylene group having from one to eight carbon atoms, a is an integer from 1 to 4, b is an integer from 1 to 4, Z is CH.sub.2, O, S or NR.sub.6, R.sub.6 being hydrogen or loweralkyl, with the limitation that when Z is O, S or NR.sub.5, the sum of a and b is 3 or 4, and R.sub.5 is hydrogen or loweralkyl; R.sub.4 is C.sub.1 -C.sub.20 straight or branched chain alkyl, cycloalkyl, or ##STR5## wherein Y is a straight or branched chain alkylene group having from one to ten carbon atoms, and each R.sub.7, R.sub.8 and R.sub.9 are the same or different members of the group consisting of hydrogen, halo, trifluoromethyl or loweralkyl; and the pharmaceutically acceptable salts thereof, with the limitation that when X is ##STR6## m = 2 and n = 2, R.sub.3 cannot be hydrogen.

  改进的麻醉方法包括使用化学式I的苯并吡喃预处理待麻醉的患者 其中，在C环中，X是NR.sub.1，S，CH.sub.2或##STR2## R.sub.1是氢，低烷基，低烯基，低炔基，低酰基，环烷基低烷基，环烷基低酰基，环烷基，卤代低烷基，卤代低烯基，苯基低烷基，苯基低烯基或苯基低烷基; m是0到3的整数，n是0到3的整数，n + m = 2或3;或C环是喹啉环##STR3## R.sub.2是低烷基; R.sub.3是氢或##STR4##其中Y是具有1至8个碳原子的直链或支链烷基基团，a是1到4的整数，b是1到4的整数，Z是CH.sub.2，O，S或NR.sub.6，R.sub.6为氢或低烷基，限制是当Z为O，S或NR.sub.5时，a和b的总和为3或4，R.sub.5为氢或低烷基; R.sub.4是C.sub.1-C.sub.20直链或支链烷基，环烷基，或##STR5##其中Y是具有1到10个碳原子的直链或支链烷基基团，每个R.sub.7，R.sub.8和R.sub.9是氢，卤素，三氟甲基或低烷基的相同或不同成员;及其药用盐，限制是当X为##STR6##时，m = 2，n = 2，R.sub.3不能是氢。