tert-butyl (4-oxo-4-(prop-2-yn-1-ylamino)butyl)carbamate | 93565-06-1

• 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
• 英文名称: tert-butyl (4-oxo-4-(prop-2-yn-1-ylamino)butyl)carbamate
• 英文别名: γ-(Boc-amino)butyric acid propargylamide；(3-prop-2-ynylcarbamoyl-propyl)-carbamic acid tert-butyl ester；(3-Prop-2-ynylcarbamoylpropyl)carbamic acid tert-butyl ester；tert-butyl N-[4-oxo-4-(prop-2-ynylamino)butyl]carbamate
• CAS: 93565-06-1
• 化学式: C₁₂H₂₀N₂O₃
• mdl: MFCD24388963
• 分子量: 240.302
• InChiKey: LBHYRGWHEDLOFE-UHFFFAOYSA-N

物化性质

• 沸点：
  426.7±30.0 °C(Predicted)
• 密度：
  1.050±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-oxo-4-(prop-2-yn-1-ylamino)butyl)carbamate 在 盐酸 、 lithium aluminium tetrahydride 、 二异丙胺 、 copper(I) bromide 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  N-2,3-丁二烯基-1,4-丁二胺衍生物：哺乳动物多胺氧化酶的强效不可逆灭活剂。

  摘要：

  DOI：

  10.1021/jm00379a001
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 N,N'-二环己基碳二亚胺 作用下， 以 乙腈 为溶剂， 生成 tert-butyl (4-oxo-4-(prop-2-yn-1-ylamino)butyl)carbamate
  参考文献：
  名称：

  N-2,3-丁二烯基-1,4-丁二胺衍生物：哺乳动物多胺氧化酶的强效不可逆灭活剂。

  摘要：

  DOI：

  10.1021/jm00379a001

文献信息

• Pyrimidine derivatives as IL-8 receptor antagonists
  申请人：——

  公开号：US20040087601A1

  公开（公告）日：2004-05-06

  Compounds containing the pyrimidine nucleus and their use to treat diseases and conditions related to inappropriate Interleukin-8 receptor activity are disclosed. The compounds are of the formula I 1 In these compounds, Q is preferably unsubstituted and substituted heterocyclyl; U is usually hydrogen or fluorine; and V is preferably hydrogen, halogen, alkyl, —O—alkyl or —S-alkyl. A representative example is: 2

  含有嘧啶核的化合物及其用于治疗与不适当的白细胞介素-8受体活性相关的疾病和症状的用途已被披露。这些化合物的结构式为I 1 在这些化合物中，Q最好是未取代或取代的杂环烷基；U通常是氢或氟；V最好是氢、卤素、烷基、—O—烷基或—S-烷基。一个代表性的例子是： 2
• [EN] IMIDAZOLYL PYRIMIDINE DERIVATIVES USEFUL AS IL-8 RECEPTOR MODULATORS<br/>[FR] DERIVES DE D'IMIDAZOLYL PYRIMIDINE UTILISES COMME MODULATEURS DU RECEPTEUR DE IL-8
  申请人：PHARMACOPEIA DRUG DISCOVERY

  公开号：WO2004063192A1

  公开（公告）日：2004-07-29

  The invention relates to compounds of the formula I, wherein R1, R2, R3 and R4 are each independently selected from H, (1-4C)alkyl, (1-4C)alkoxy, trifluoromethyl, trifluoromethoxy, halogen, amino, sulfonamide, cyano, OH and nitro; R5 is H or (1-6C)alkyl; R6 is H, (1-6C)alkyl or (1-6C)alkoxy; R7 is H or (1-6C)alkyl; R8 is (1-6C)alkyl, optionally substituted with (1-6C)alkoxy; R9 is -(CH2)nR10, wherein n is 1, 2 or 3 and R10 is selected from (1-4C)alkoxy, (1-4C)alkylthio, trifluoromethyl, (3-8C)cycloalkyl, phenyl optionally substituted with (1-4C)alkoxy, -NR11R12 and -O(CH2)2NR11R12, wherein one of R11 and R12 is (1-4C)alkoxy, the other being H or (1-4C)alkyl, or R9 is -CH2(2-7C)heterocycloalkyl, provided that when at least one heteroatom in the heterocycloalkyl moiety is nitrogen, the distance between this nitrogen and the nitrogen in 'NHR9' is at least three carbon atoms, or R9 is -(CH2)3(2-7C)heterocycloalkyl or -(CH2)2CHR13R14, wherein R13 and R14 together with the carbon atom to which they are attached, are (2-7C)heterocycloalkyl; and X is O, S or NH; or a pharmaceutically acceptable salt thereof. The compounds of the invention are Il-8 receptor modulators, in particular inhibitors thereof, and can be used for treating or preventing Il-8 receptor mediated disorders, such as atherosclerosis, inflammation, rheumatoid arthritis and related disorders.

  该发明涉及公式I的化合物，其中R1、R2、R3和R4分别独立地选择自H、(1-4C)烷基、(1-4C)烷氧基、三氟甲基、三氟甲氧基、卤素、氨基、磺酰胺基、氰基、羟基和硝基；R5为H或(1-6C)烷基；R6为H、(1-6C)烷基或(1-6C)烷氧基；R7为H或(1-6C)烷基；R8为(1-6C)烷基，可选地取代为(1-6C)烷氧基；R9为-(CH2)nR10，其中n为1、2或3，R10选自(1-4C)烷氧基、(1-4C)烷基硫醚、三氟甲基、(3-8C)环烷基、苯基，可选地取代为(1-4C)烷氧基，-NR11R12和-O( )2NR11R12，其中R11和R12中的一个为(1-4C)烷氧基，另一个为H或(1-4C)烷基，或R9为- (2-7C)杂环烷基，但至少一个杂原子在杂环烷基基团中是氮时，该氮与“NHR9”中的氮之间的距离至少为三个碳原子，或R9为-( )3(2-7C)杂环烷基或-( )2CHR13R14，其中R13和R14与它们连接的碳原子一起，是(2-7C)杂环烷基；X为O、S或NH；或其药学上可接受的盐。该发明的化合物是Il-8受体调节剂，特别是其抑制剂，并可用于治疗或预防Il-8受体介导的疾病，如动脉粥样硬化、炎症、类风湿关节炎及相关疾病。
• Ring-Opening Metathesis Polymerization-based Recyclable Magnetic Acylation Reagents
  作者：Quirin M. Kainz、Roland Linhardt、Pradip K. Maity、Paul R. Hanson、Oliver Reiser

  DOI：10.1002/cssc.201200453

  日期：2013.4

  simple method for the acylation of amines utilizing carbon‐coated metal nanoparticles as recyclable supports is reported. Highly magnetic carbon‐coated cobalt (Co/C) and iron (Fe/C) nanobeads were functionalized with a norbornene tag (Nb‐tag) through a “click” reaction followed by surface activation employing Grubbs‐II catalyst and subsequent grafting of acylated N‐hydroxysuccinimide ROMPgels (ROMP=ring‐opening

  据报道，一种操作简单的方法是利用碳包覆的金属纳米颗粒作为可循环利用的载体来酰化胺。高磁性碳包覆的钴（Co / C）和铁（Fe / C）纳米珠通过“点击”反应通过降冰片烯标签（Nb-tag）功能化，然后使用Grubbs-II催化剂进行表面活化，然后接枝酰化N-羟基琥珀酰亚胺ROMPgels（ROMP =开环复分解聚合）。高负荷（高达2.6 mmol g -1杂化材料用于各种伯胺和仲胺的酰化反应。在快速倾析和简单蒸发溶剂后，分离出的产品具有高收率（86-99％）和出色的纯度（通过NMR光谱均大于95％）。废树脂成功地被酰氯，酸酐和羧酸重新酰化，并可以连续使用多达五个周期，而活性却没有显着降低。
• Synthesis and evaluation of homodimeric GnRHR antagonists having a rigid bis-propargylated benzene core
  作者：Kimberly M. Bonger、Richard J.B.H.N. van den Berg、Annemiek D. Knijnenburg、Laura H. Heitman、Ad P. IJzerman、Julia Oosterom、Cornelis M. Timmers、Herman S. Overkleeft、Gijsbert A. van der Marel

  DOI：10.1016/j.bmc.2008.01.054

  日期：2008.4.1

  The fact that GPCRs might function in a dimeric fashion is currently well accepted. For GnRHR, a GPCR that regulates gonadotropin release, there is evidence that the receptor also functions as a dimer. We here describe the design and synthesis of a set of dimeric GnRHR antagonists in order to understand the interaction of dimeric ligands to the receptor and to address the question whether GnRHR dimerisation is a prerequisite for signalling. Biological evaluation of the compounds shows no discrimination between monomeric and dimeric ligands in respect to binding affinities, however, the dimeric ligands appear to have different functional properties. (C) 2008 Elsevier Ltd. All rights reserved.
• BEY, PH.
  作者：BEY, PH.

  DOI：——

  日期：——