(3S)-3-ethyl(tert-butoxycarbonyl)aminopyrrolidine | 250274-93-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3S)-3-ethyl(tert-butoxycarbonyl)aminopyrrolidine
• 英文别名: tert-butyl ethyl[(3S)-pyrrolidin-3-yl]carbamate；tert-butyl (S)-ethyl(pyrrolidin-3-yl)carbamate；tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate；Ethyl-(S)-pyrrolidin-3-yl-carbamic acid tert-butyl ester
• CAS: 250274-93-2
• 化学式: C₁₁H₂₂N₂O₂
• 分子量: 214.308
• InChiKey: YSSKLKKEUPUEEM-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3S)-3-ethyl(tert-butoxycarbonyl)aminopyrrolidine 在 盐酸 、 potassium carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 反应 31.0h， 生成
  参考文献：
  名称：

  Discovery of DS34942424: An orally potent analgesic without mu opioid receptor agonist activity

  摘要：

  We identified (5'S)-10'-fluoro-6'-methyl-5',6'-dihydro-3'H-spiro[cyclopropane-1,4'-[2,6]diaza[2,5]methano [2,6]benzodiazonin]-7'(1'H)-one, 22b (DS34942424) with a unique and original bicyclic skeleton. 22b showed an orally potent analgesic in the acetic acid-induced writhing test and formalin test in ddY mice without sedation. Moreover, 22b did not exhibit mu opioid receptor agonist activity.

  DOI：

  10.1016/j.bmc.2020.115714
• 作为产物：
  描述：

  (S)-3-叔丁氧羰基氨基吡咯烷 在 palladium 10% on activated carbon 、 potassium tert-butylate 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 4.5h， 生成 (3S)-3-ethyl(tert-butoxycarbonyl)aminopyrrolidine
  参考文献：
  名称：

  Discovery of DS34942424: An orally potent analgesic without mu opioid receptor agonist activity

  摘要：

  We identified (5'S)-10'-fluoro-6'-methyl-5',6'-dihydro-3'H-spiro[cyclopropane-1,4'-[2,6]diaza[2,5]methano [2,6]benzodiazonin]-7'(1'H)-one, 22b (DS34942424) with a unique and original bicyclic skeleton. 22b showed an orally potent analgesic in the acetic acid-induced writhing test and formalin test in ddY mice without sedation. Moreover, 22b did not exhibit mu opioid receptor agonist activity.

  DOI：

  10.1016/j.bmc.2020.115714

文献信息

• Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones
  申请人：Armour R. Duncan

  公开号：US20080085884A1

  公开（公告）日：2008-04-10

  The present invention provides for MCHR1 antagonist compounds of formula (I) and the pharmaceutically acceptable salts, solvates and prodrugs thereof, wherein the substituents are as defined herein, and the pharmaceutically acceptable salts, solvates and prodrugs thereof, which are useful in treating diseases or conditions wherein antagonism of the MCHR1 receptor is beneficial.

  本发明提供了式（I）的MCHR1拮抗剂化合物及其药用盐、溶剂合物和前药，其中取代基如本文所定义，并且其药用盐、溶剂合物和前药，可用于治疗对MCHR1受体拮抗有益的疾病或症状。
• [EN] PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS<br/>[FR] DÉRIVÉS PHÉNYLSULFONYLE ET LEUR UTILISATION COMME ANTAGONISTES DE L'HISTAMINE H3
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2011121309A1

  公开（公告）日：2011-10-06

  A compound having the formula (1) wherein W represents N or CH; R1 represents H or C1-3 alkyl; R2 represents a N-containing heterocyclyl ring or a -C1-3 alkylene-N-containing heterocyclyl group; in which any N-containing heterocyclyl comprising or present on R2 may be optionally substituted; or, when W represents N, R1 and R2 and the N atom to which they are attached may join to form an optionally substituted azacyclic ring, wherein the azacylic ring may be optionally substituted; R3 represents H or C1-3 alkyl; R4 represents optionally substituted C3-6 cycloalkyl, heteroaryl or heterocyclyl; or R3 and R4 and the N atom to which they are attached may join to form an optionally substituted heterocyclyl ring; or a pharmaceutically acceptable salt thereof. The compounds of the invention have been found to modulate the histamine H3 receptor.

  具有以下式子（1）的化合物：其中W代表N或CH; R1代表H或C1-3烷基; R2代表一个含氮杂环环或-C1-3烷基-含氮杂环基团;其中R2上包含或存在的任何含氮杂环均可选择性地被取代;或者，当W代表N时，R1和R2以及它们附着的N原子可以连接形成一个可选择性取代的氮杂环环，其中该氮杂环环可以选择性地被取代; R3代表H或C1-3烷基; R4代表可选择性取代的C3-6环烷基，杂环芳基或杂环基;或R3和R4以及它们附着的N原子可以连接形成一个可选择性取代的杂环基环;或其药学上可接受的盐。该发明的化合物已被发现可以调节组胺H3受体。
• Synthesis and Antimicrobial Activity of 4<i>H</i>-4-Oxoquinolizine Derivatives:  Consequences of Structural Modification at the C-8 Position
  作者：Zhenkun Ma、Daniel T. W. Chu、Curt S. Cooper、Qun Li、Anthony K. L. Fung、Sanyi Wang、Linus L. Shen、Robert K. Flamm、Angela M. Nilius、Jeffery D. Alder、Jonathan A. Meulbroek、Yat Sun Or

  DOI：10.1021/jm990191k

  日期：1999.10.1

  stereochemistry of the C-8 group are very important to the antibacterial profiles. Structural modifications of the C-8 group provide a useful means to improve the antibacterial activities, physicochemical properties, and pharmacokinetic profiles. Manipulation of the C-8 group also allows us to generate analogues with the desired spectrum of activity, such as analogues that are selective against respiratory

  最近引入了抗菌的4H-4-氧喹诺酮类药物，以克服细菌对氟喹诺酮类药物的耐药性。它们对革兰氏阳性，革兰氏阴性和厌氧菌显示有效的抗菌活性，对某些对喹诺酮类耐药的细菌（包括对喹诺酮类耐药的MRSA）具有很高的活性。初步研究表明，与它们的母体喹诺酮类相比，氧喹诺酮类具有独特的活性和毒性。为了开发一种具有所需活性谱，良好的耐受性和平衡的药代动力学特征的有效抗菌剂，我们合成并评估了一系列在C-8位带有各种取代基的氧喹啉。在这项研究中测试的大多数化合物对革兰氏阳性细菌的活性均优于环丙沙星，并且对环丙沙星和耐甲氧西林的金黄色葡萄球菌具有良好的敏感性。小鼠保护试验表明，在保持有效的体外活性的同时，几种化合物的体内功效优于ABT-719。例如，针对金黄色葡萄球菌NCTC 10649M，肺炎链球菌ATCC 6303和大肠杆菌JUHL的顺式-3-氨基-4-甲基哌啶类似物3ss的口服ED（50）值为0、8、2.0和1
• [EN] 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTIBACTERIENS CONTENANT 3-AMINOQUINAZOLIN-2,4-DIONE
  申请人：WARNER LAMBERT CO

  公开号：WO2001053273A1

  公开（公告）日：2001-07-26

  Antibacterial 3-aminoquinazolin-2,4-diones have formula (I) wherein: R1 and R3 include alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heterocyclic, and heteroaryl; R5, R6, and R8 include H, alkyl, alkoxy, halo, NO2, CN, NH2, alkyl and dialkylamino; R7 includes hydrogen, alkyl, cycloalkyl, heterocyclic, fused heterocyclic, aryl and fused aryl; J and K are C or N; and pharmaceutically acceptable salts thereof.

  具有式(I)的抗菌3-氨基喹唑啉-2,4-二酮，其中：R1和R3包括烷基，烯基，炔基，环烷基，芳基，杂环基和杂芳基；R5，R6和R8包括H，烷基，烷氧基，卤素，NO2，CN，NH2，烷基和二烷基氨基；R7包括氢，烷基，环烷基，杂环基，融合的杂环基，芳基和融合的芳基；J和K是C或N；以及其药学上可接受的盐。
• CDK Modulators
  申请人：Bahceci Suleyman

  公开号：US20110201599A1

  公开（公告）日：2011-08-18

  A compound according to Formula I: or a pharmaceutically-acceptable salt thereof, wherein R1, R3, A, B and D are as defined in the specification; pharmaceutical compositions thereof, and methods of use thereof.

  根据公式I的化合物：或其药学上可接受的盐，其中R1，R3，A，B和D如规范中定义;其制药组合物以及使用方法。