5-氨基戊酸甲酯盐酸盐 | 29840-56-0

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 5-氨基戊酸甲酯盐酸盐
• 英文名称: 5-aminopentanoic acid methyl ester hydrochloride
• 英文别名: methyl 5-aminopentanoate hydrochloride；methyl 5-aminovalerate hydrochloride；5-aminovaleric acid methyl ester hydrochloride；5-methoxy-5-oxopentan-1-aminium chloride；(5-Methoxy-5-oxopentyl)azanium;chloride；(5-methoxy-5-oxopentyl)azanium;chloride
• CAS: 29840-56-0
• 化学式: C₆H₁₄NO₂*Cl
• mdl: MFCD13368250
• 分子量: 167.636
• InChiKey: FAKIZCQRTPAOSH-UHFFFAOYSA-N

物化性质

• 熔点：
  145.5-147℃
• 溶解度：
  DMSO（微溶）、乙醇（微溶）、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.03
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  -20℃

制备方法与用途

急救措施

若吸入了5-氨基戊酸甲酯盐酸盐，请立即将患者移至空气新鲜处；如皮肤受到污染，应脱去受污染的衣物，并用肥皂水和清水彻底冲洗皮肤，如有不适，请就医；如果眼睛接触到该物质，应翻开眼睑，使用流动清水或生理盐水进行冲洗，并立即就医；若不慎吞食，请立即漱口，切勿催吐，并尽快就医。

对于施救者的建议：将患者移至安全地带，并咨询医生。如条件允许，请向现场医生提供化学品安全技术说明书。

用途

5-氨基戊酸甲酯盐酸盐可用作医药化工合成的中间体。

反应信息

• 作为反应物：
  描述：

  5-氨基戊酸甲酯盐酸盐 在 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 1.5h， 生成 Boc-5-氨基戊酸
  参考文献：
  名称：

  Synthesis and hyperpolarisation of eNOS substrates for quantification of NO production by 1H NMR spectroscopy

  摘要：

  Hyperpolarization enhances the intensity of the NMR signals of a molecule, whose in vivo metabolic fate can be monitored by MRI with higher sensitivity. SABRE is a hyperpolarization technique that could potentially be used to image nitric oxide (NO) production in vivo. This would be very important, because NO dysregulation is involved in several pathologies, including cardiovascular ones. The nitric oxide synthase (NOS) pathway leads to NO production via conversion of L-arginine into L-citrulline. NO is a free radical gas with a short half-life in vivo (approximate to 5 s), therefore direct NO quantification is challenging. An indirect method - based on quantifying conversion of an L-Arg - to L-Cit-derivative by H-1 NMR spectroscopy is herein proposed. A small library of pyridyl containing L-Arg derivatives was designed and synthesised. In vitro tests showed that compounds 4a-j and 11a-c were better or equivalent substrates for the eNOS enzyme (NO2- production = 19-46 uM) than native L-Arg (NO2- production = 25 mu M). Enzymatic conversion of L-Arg to L-Cit derivatives could be monitored by 1H NMR. The maximum hyperpolarization achieved by SABRE reached 870-fold NMR signal enhancement, which opens up exciting future perspectives of using these molecules as hyperpolarized MRI tracers in vivo. (C) 2017 The Authors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2017.03.041
• 作为产物：
  描述：

  5-氨基颉草酸 在 氯化亚砜 作用下， 以 甲醇 为溶剂， 生成 5-氨基戊酸甲酯盐酸盐
  参考文献：
  名称：

  Enkephalinase inhibitors

  摘要：

  巯基烷酰和酰基巯基烷酰化合物的化学式为##STR1##，其中n是从一到十五的整数，具有脑内啡酶抑制活性，并可用作镇痛剂。

  公开号：

  US04722810A1

文献信息

• Arylsulfonamide derivative and pharmaceutical compositions and use
  申请人：NKK Corporation

  公开号：US05650428A1

  公开（公告）日：1997-07-22

  An arylsulfonamide derivative of the formula (I): ##STR1## wherein R.sup.1 is unsubstituted phenyl or naphthyl, or phenyl substituted by 1 to 3 same or different substituents selected from the group consisting of halogen, alkyl, nitro and alkoxy, R.sup.2 is straight, branched, or branched cyclic alkyl with 1 to 15 carbon atoms, phenyl, phenyloxyl, phenyloxy substituted by one or more halogen atoms, cycloalkyl with 5 to 7 carbon atoms, indolyl, alkylthiol with 1 to 4 carbon atoms, hydroxyl, protected hydroxyl, imidazolyl, pyridyloxyl, or --OSO.sub.2 R.sup.4, R.sup.4 is straight or branched alkyl with 1 to 15 carbon atoms, or unsubstituted phenyl or thienyl, or phenyl or thienyl substituted by 1 to 3 same or different substituents of halogen, alkyl, nitro and alkoxy, R.sup.3 is hydrogen or straight or branched alkyl with 1 to 20 carbon atoms, n is an integer of 0 to 10, p is an integer of 0 to 10, X is a group of the formula --(CH.sub.2)m-A-(CH.sub.2)q-, m and q are independently an integer of 0 to 8, and A is a direct bond or phenylene, or a salt thereof; a process for manufacture thereof and a pharmaceutical composition containing same. The above compound exhibits thromboxane A.sub.2 antagonism.

  根据您的要求，以下是公式(I)的中文翻译： 一种芳基磺酰胺衍生物，其化学公式为(I)：##STR1##，其中R.sup.1为未取代的苯基或萘基，或者苯基被1到3个相同的或不同的取代基所取代，这些取代基选自卤素、烷基、硝基和烷氧基；R.sup.2为直链、支链或支链环烷基，含有1到15个碳原子，苯基，苯氧基，苯氧基被一个或多个卤素原子所取代，含有5到7个碳原子的环烷基，吲哚基，含有1到4个碳原子的烷基亚硫酰基，羟基，保护的羟基，咪唑基，吡啶氧基或--OSO.sub.2 R.sup.4；R.sup.4为直链或支链烷基，含有1到15个碳原子，或者未取代的苯基或噻吩基，或者苯基或噻吩基被1到3个相同的或不同的取代基所取代，这些取代基选自卤素、烷基、硝基和烷氧基；R.sup.3为氢或直链或支链烷基，含有1到20个碳原子；n为0到10的整数；p为0到10的整数；X为化学公式--(CH.sub.2)m-A-(CH.sub.2)q-的基团，其中m和q各自独立为0到8的整数，A为直接键或亚苯基；以及其盐；一种制造该化合物的方法以及含有该化合物的药物组合物。上述化合物展现出血栓素A.sub.2拮抗性。
• Benzoxazepinones and their use as squalene synthase inhibitors
  申请人：——

  公开号：US20030078251A1

  公开（公告）日：2003-04-24

  There is disclosed a compound represented by the formula [I]: 1 wherein R 1 is optionally substituted 1-carboxyethyl group, optionally substituted alkyl-sulfonyl group, optionally substituted (carboxy-cycloalkyl)-alkyl group, —X 1 —X 2 —Ar—X 3 —X 4 —COOH (wherein X 1 and X 4 are a bond or alkylene group, X 2 and X 3 are a bond, —O—, —S—, Ar is divalent aromatic group etc.), R 2 is alkyl group optionally substituted with alkanoyloxy group and/or hydroxy group, R 3 is alkyl group, and W is halogen atom, etc., or a salt thereof. The compound has the cholesterol lowering activity and the triglyceride lowering activity and is useful for preventing and/or treating hyperlipidemia.

  披露了一种由公式[I]表示的化合物： 1 其中R 1 是可选地取代的1-羧乙基，可选地取代的烷基亚磺酰基，可选地取代的(羧基环烷基)-烷基，—X 1 —X 2 —Ar—X 3 —X 4 —COOH(其中X 1 和X 4 是键或亚烷基，X 2 和X 3 是键，—O—，—S—，Ar是二价芳香族等)，R 2 是可选地由酰氧基和/或羟基取代的烷基，R 3 是烷基，W是卤素原子等，或其盐。该化合物具有降低胆固醇活性和降低甘油三酯活性，用于预防或治疗高脂血症。
• [EN] NAMPT MODULATORS<br/>[FR] MODULATEURS DE NAMPT
  申请人：CYTOKINETICS INC

  公开号：WO2021159015A1

  公开（公告）日：2021-08-12

  Provided are compounds of Formula (II) or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, R5, R6, and p are as defined herein. Also provided is a pharmaceutically acceptable composition comprising a compound of Formula (II), or a pharmaceutically acceptable salt thereof. Also provided are methods of using a compound of Formula (II), or a pharmaceutically acceptable salt thereof.

  提供了公式（II）的化合物或其药用可接受盐，其中R1、R2、R3、R4、R5、R6和p如本文所定义。还提供了包含公式（II）化合物或其药用可接受盐的药用可接受组合物。还提供了使用公式（II）化合物或其药用可接受盐的方法。
• Oxidative damage of proline residues by nitrate radicals (NO₃˙): a kinetic and product study
  作者：Joses G. Nathanael、Jonathan M. White、Annika Richter、Madison R. Nuske、Uta Wille

  DOI：10.1039/d0ob01337d

  日期：——

  indicating that NO3˙-induced oxidation of amide bonds proceeds through initial formation of a charge transfer complex. Furthermore, the rate of oxidative damage of proline and N-methyl glycine is significantly influenced by its position in a peptide. Thus, neighbouring peptide bonds, particularly in the N-direction, reduce the electron density at the tertiary amide, which slows down the rate of ET by up

  叔酰胺，例如N-酰化脯氨酸或N-甲基甘氨酸残基，与硝酸根 (NO 3 ˙) 快速反应，在乙腈中的绝对速率系数范围为 4-7 × 10 8 M -1 s -1 。主要途径通过氮处的氧化电子转移 (ET) 进行，而在这些条件下，夺氢只是次要因素。然而，酰胺的空间位阻，例如α-碳上的烷基侧链，使速率系数降低高达 75%，表明 NO 3˙ 诱导的酰胺键氧化通过电荷转移复合物的初始形成进行。此外，脯氨酸和N-甲基甘氨酸的氧化损伤率显着受其在肽中的位置的影响。因此，相邻的肽键，特别是在N方向上，会降低叔酰胺的电子密度，从而将 ET 的速率降低多达一个数量级。这些模型研究的结果表明，与单一氨基酸相比，肽中脯氨酸残基对自由基诱导的氧化损伤的敏感性应大大降低。
• [EN] INHIBITORS OF HEPATITIS C VIRUS POLYMERASE<br/>[FR] INHIBITEURS DE POLYMÉRASE DU VIRUS DE L'HÉPATITE C
  申请人：COCRYSTAL PHARMA INC

  公开号：WO2016154241A1

  公开（公告）日：2016-09-29

  The present invention provides, among other things, compounds represented by the general Formula I: (I) and pharmaceutically acceptable salts thereof, wherein L and A (and further substituents) are as defined in classes and subclasses herein and compositions (e.g., pharmaceutical compositions) comprising such compounds, which compounds are useful as inhibitors of hepatitis C virus polymerase, and thus are useful, for example, as medicaments for the treatment of HCV infection.

  本发明提供了一种由一般式I表示的化合物，以及其药学上可接受的盐，其中L和A（以及进一步的取代基）如本文中的类和子类中所定义，并且包括这些化合物的组合物（例如，药物组合物），这些化合物可用作丙型肝炎病毒聚合酶的抑制剂，因此可用作治疗HCV感染的药物。