1-(N-乙氧羰基)-3-甲氧基-4-哌啶酮 | 83863-72-3

• 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-(N-乙氧羰基)-3-甲氧基-4-哌啶酮
• 中文别名: N-甲酸乙酯-4-哌啶酮
• 英文名称: ethyl 3-methoxy-4-oxopiperidine-1-carboxylate
• 英文别名: (-)-ethyl 3-methoxy-4-oxo-1-piperidine-carboxylate
• CAS: 83863-72-3
• 化学式: C₉H₁₅NO₄
• 分子量: 201.222
• InChiKey: WDPDIPXYVCLBCI-UHFFFAOYSA-N

物化性质

• 沸点：
  301.3±42.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-(N-乙氧羰基)-3-甲氧基-4-哌啶酮 在 盐酸 、 palladium 10% on activated carbon 、 氢气 、 甲酸铵 、 三乙酰氧基硼氢化钠 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 14.5h， 生成 ethyl (-)-cis-4-amino-3-methoxy-1-piperidinecarboxylate
  参考文献：
  名称：

  Optimization of Pyrrolamide Topoisomerase II Inhibitors Toward Identification of an Antibacterial Clinical Candidate (AZD5099)

  摘要：

  AZD5099 (compound 63) is an antibacterial agent that entered phase 1 clinical trials targeting infections caused by Gram-positive and fastidious Gram-negative bacteria. It was derived from previously reported pyrrolamide antibacterials and a fragment-based approach targeting the ATP binding site of bacterial type II topoisomerases. The program described herein varied a 3-piperidine substituent and incorporated 4-thiazole substituents that form a seven-membered ring intramolecular hydrogen bond with a 5-position carboxylic acid. Improved antibacterial activity and lower in vivo clearances were achieved. The lower clearances were attributed, in part, to reduced recognition by the multidrug resistant transporter Mrp2. Compound 63 showed notable efficacy in a mouse neutropenic Staphylococcus aureus infection model. Resistance frequency versus the drug was low, and reports of clinical resistance due to alteration of the target are few. Hence, 63 could offer a novel treatment for serious issues of resistance to currently used antibacterials.

  DOI：

  10.1021/jm500462x
• 作为产物：
  描述：

  3,4,4-三甲氧基哌啶-1-羧酸乙酯 生成 1-(N-乙氧羰基)-3-甲氧基-4-哌啶酮
  参考文献：
  名称：

  Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives

  摘要：

  小说N-(3-羟基-4-哌啶基)苯甲酰胺及其衍生物，所述化合物可用作胃肠系统运动的刺激剂。

  公开号：

  US04962115A1

文献信息

• 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors
  申请人：Xue Chu-Biao

  公开号：US20070149532A1

  公开（公告）日：2007-06-28

  The present invention is directed to compounds of Formula I: I which are modulators of chemokine receptors. The compounds of the invention, and compositions thereof, are useful in the treatment of diseases related to chemokine receptor expression and/or activity.

  本发明涉及化合物I的化合物：I，这些化合物是趋化因子受体的调节剂。本发明的化合物及其组合物在治疗与趋化因子受体表达和/或活性相关的疾病方面是有用的。
• [EN] INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF<br/>[FR] DÉRIVÉ D'INDAZOLE ET PYRROLOPYRIDINE ET UTILISATION PHARMACEUTIQUE DE CELUI-CI
  申请人：DAINIPPON SUMITOMO PHARMA CO

  公开号：WO2012169649A1

  公开（公告）日：2012-12-13

  The present invention relates to a novel indazole- or pyrrolopyridine-derivative, represented by the formula (1) below, that has an agonistic action or a partial agonistic action against serotonin-4 receptor, and a pharmaceutical composition comprising the same. Formula (1) [wherein each substituent is as defined in claim 1]

  本发明涉及一种新型吲唑基或吡咯吡啶基衍生物，由下面的式（1）表示，该衍生物对5-羟色胺-4受体具有激动作用或部分激动作用，并且包括含有该衍生物的药物组合物。式（1）[其中每个取代基如权利要求1所定义]
• Dimethylbenzofuran and dimethylbenzopyran derivatives and their use as
  申请人：Janssen Pharmaceutica N.V.

  公开号：US05674868A1

  公开（公告）日：1997-10-07

  Method of treating 5-HT.sub.3 -mediated disorders, which comprises systemic administration of an effective amount of a compound of formula (I) ##STR1## the pharmaceutically acceptable acid addition salt forms and the stereochemically isomeric forms thereof, wherein R.sup.1 and R.sup.2 represent hydrogen, or R.sup.1 and R.sup.2 taken together form a bivalent radical of formula --CH.dbd.CH--CH.dbd.CH-- (a), --CH.dbd.C(Cl)--CH.dbd.CH-- (b) or --CH.dbd.CH--C(Cl).dbd.CH-- (c); n represents 2, 3 or 4; R.sup.3 represents hydrogen or methoxy; m represents 1 or 2; R.sup.4 represents hydrogen, amino or C.sub.1-3 -alkylcarbonylamino; and R.sup.5 represents hydrogen or halo; novel compounds; compositions; processes for preparing novel compounds and intermediates.

  治疗5-HT.sub.3介导的疾病的方法，包括系统给药有效量的式(I)化合物 ##STR1## 其药学上可接受的酸加成盐形式及其立体化学异构体形式，其中R.sup.1和R.sup.2代表氢，或者R.sup.1和R.sup.2一起形成式--CH.dbd.CH--CH.dbd.CH-- (a)、--CH.dbd.C(Cl)--CH.dbd.CH-- (b)或--CH.dbd.CH--C(Cl).dbd.CH-- (c)的二价基团；n代表2、3或4；R.sup.3代表氢或甲氧基；m代表1或2；R.sup.4代表氢、氨基或C.sub.1-3 -烷基羰基氨基；R.sup.5代表氢或卤素；新化合物；组合物；制备新化合物及其中间体的方法。
• [EN] ANTIBACTERIAL PIPERIDINE DERIVATIVES<br/>[FR] COMPOSÉS ANTIBACTÉRIENS DÉRIVÉS DE PIPÉRIDINE
  申请人：ASTRAZENECA AB

  公开号：WO2006087543A1

  公开（公告）日：2006-08-24

  (EN) Compounds of formula (I) and their pharmaceutically acceptable salts are described: Formula (I). Processes for their preparation, pharmaceutical compositions containing them, their use as medicaments and their use in the treatment of bacterial infections are also described.(FR) La présente invention décrit des composés de formule (I) ainsi que leurs sels de qualité pharmaceutique : Formule (I). La présente invention décrit en outre des procédés de synthèse desdits composés, des préparations pharmaceutiques les contenant, leur emploi en tant que médicaments et leur emploi dans le traitement d'infections bactériennes.

  公式（I）的化合物及其药用盐被描述：公式（I）。还描述了它们的制备方法、含有它们的药物组成物、作为药物的用途以及在治疗细菌感染中的用途。
• [EN] CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD<br/>[FR] PYRIMIDINE-4 CARBOXAMIDES CYCLIQUES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR CCR2 POUR LE TRAITEMENT D'INFLAMMATIONS, DE L'ASTHME ET DES BRONCHO-PNEUMOPATHIES CHRONIQUES OBSTRUCTIVES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010070032A1

  公开（公告）日：2010-06-24

  The present invention relates to novel antagonists for CCR2 (CC chemokine receptor 2) and their use for providing medicaments for treating conditions and diseases, especially pulmonary diseases like asthma and COPD. Formula (I), wherein A is selected from among a single bond, =CH-, -CH2-, -O-, -S-, and -NH-; wherein n is 1, 2 or 3; wherein Z is C or N, the other variables are as defined in the claims, as well as in form of their acid addition salts with pharmacologically acceptable acids.

  本发明涉及用于治疗疾病和疾病的新型CCR2（CC趋化因子受体2）拮抗剂及其用途，特别是用于治疗肺部疾病如哮喘和慢性阻塞性肺病的药物。公式（I），其中A从单键，=CH-，-CH2-，-O-，-S-和-NH-中选择；其中n为1、2或3；其中Z为C或N，其他变量如声明中所定义，以及以药理学上可接受的酸的酸盐形式存在。