1-(2-异氰酸基乙基)萘 | 93841-18-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-(2-异氰酸基乙基)萘
• 英文名称: -(+)-(1-naphthyl)-ethyl isocyanate
• 英文别名: isocyanic acid naphthylethyl ester；naphthylethyl isocyanate；1-(2-Isocyanatoethyl)naphthalene
• CAS: 93841-18-0
• 化学式: C₁₃H₁₁NO
• 分子量: 197.236
• InChiKey: PUZZJOQLEUZSGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2929109000

反应信息

• 作为反应物：
  描述：

  对氨基苯酚 、 1-(2-异氰酸基乙基)萘 以 乙腈 为溶剂， 生成 1-(4-hydroxyphenyl)-3-(2-(naphthalen-1-yl)ethyl)urea
  参考文献：
  名称：

  Ureido-substituted sulfamates show potent carbonic anhydrase IX inhibitory and antiproliferative activities against breast cancer cell lines

  摘要：

  A series of 50 sulfamates were obtained by reacting 4-aminophenol with isocyanates followed by sulfamoylation. Most of the new compounds were nanomolar inhibitors of the tumor-associated carbonic anhydrase (CA, EC 4.2.1.1) isoforms IX and XII, whereas they inhibited less cytosolic offtarget isoforms CA I and II. Some of these sulfamates showed significant antiproliferative activity in several breast cancer cell lines, such as SKBR3, MCF10A, ZR75/1, MDA-MB-361 and MCF7, constituting interesting anticancer leads. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.083
• 作为产物：
  描述：

  3-naphthalen-1-ylpropanoyl azide 反应 0.5h， 生成 1-(2-异氰酸基乙基)萘
  参考文献：
  名称：

  Synthesis and DNA-cleaving activity of lactenediynes conjugated with DNA-complexing moieties

  摘要：

  Lactenediynes are compounds characterized by the fusion of a beta-lactam with a cyclodeca-3-ene-1,5-diyne. In this work the most promising members of this family have been activated by attaching a carbalkoxy or a carbamoyl group to the azetidinone nitrogen, and conjugated to various DNA-complexing moieties, either acting by intercalation or through groove binding. These conjugated artificial enediynes have been demonstrated to possess in vitro ability to produce single and double strand cleavage of plasmid DNA. As potency and capacity to induce double cut, they rank among the best simple enediyne analogues ever prepared. A thorough investigation was carried out in order to develop the best suited linkers for assembling these conjugates. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.022

文献信息

• [EN] HIV INTEGRASE INHIBITORS<br/>[FR] INHIBITEURS DE L'INTEGRASE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2005092099A1

  公开（公告）日：2005-10-06

  Bicyclic uracils and related compounds are inhibitors of HIV integrase and inhibitors of HIV replication. In one embodiment, the compounds are of Formula (I) wherein a, b, Y, R1, R2, R3 and R4 are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  双环尿嘧啶及相关化合物是HIV整合酶的抑制剂，也是HIV复制的抑制剂。在一个实施例中，这些化合物符合以下式（I）的定义，其中a、b、Y、R1、R2、R3和R4在此处被定义。这些化合物对预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病具有用处。这些化合物可作为化合物本身或作为药学上可接受的盐的形式用于对抗HIV感染和艾滋病。这些化合物及其盐可作为药物组合物中的成分，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。
• A Versatile Linkage Strategy for Solid-Phase Synthesis of <i>N</i>,<i>N</i>-Dimethyltryptamines and β-Carbolines
  作者：Tom Y. H. Wu、Peter G. Schultz

  DOI：10.1021/ol026729p

  日期：2002.11.1

  Various tryptamines are captured by a vinylsulfonylmethyl polystyrene resin, generating a safety-catch linkage. Beta-carbolines can be formed from 4 by a Pictet-Spengler reaction with the introduction of R(1). Tryptamine 4 can also be derivatized by acylation or copper-mediated coupling to introduce R(2). If X = Br, Suzuki coupling can be used to introduce R(3). After derivatization, the indole derivatives

  乙烯基磺酰基甲基聚苯乙烯树脂可捕获各种色胺，从而产生安全连接。β-咔啉可通过引入R（1）的Pictet-Spengler反应由4形成。色胺4也可以通过酰化或铜介导的偶联引入R（2）衍生化。如果X = Br，则可以使用Suzuki耦合来引入R（3）。衍生化后，吲哚衍生物被甲基碘活化并在温和的碱性条件下释放。[反应：看文字]
• [EN] PYRIDINE N-OXIDES AS ANTIVIRAL AGENTS<br/>[FR] N-OXIDES DE PYRIDINE EN TANT QU'AGENTS ANTI-VIRAUX
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2004110442A1

  公开（公告）日：2004-12-23

  The present invention relates to pyridinone derivatives of formula (I) wherein Z represents C2-6 alkynyl, aryl or heteroaryl, any of which groups may be optionally substituted, and R1 represents hydrogen, C1-6 alkyl, C3-7 heterocycloalkyl(C1-6)alkyl, di(C1-6)alkylamino(C1-6)alkyl, C2-6 alkylcarbonyloxy(C1-6)alkyl or C3-7 cycloalkoxycarbonyloxy(C1-6)alkyl, and pharmaceutically acceptable salts thereof, useful in the prevention and treatment of hepatitis C virus infections.

  本发明涉及式(I)的吡啶酮衍生物，其中Z代表C2-6炔基、芳基或杂芳基，其中任何一个基团可以选择性地被取代，R1代表氢、C1-6烷基、C3-7杂环烷基(C1-6)烷基、二(C1-6)烷基氨基(C1-6)烷基、C2-6烷基羰氧基(C1-6)烷基或C3-7环烷氧羰氧基(C1-6)烷基，以及其在制备和治疗丙型肝炎病毒感染中的药用可接受盐。
• Inhibitors of hepatitis C virus NS3 protease
  申请人：——

  公开号：US20030064962A1

  公开（公告）日：2003-04-03

  The present invention relates generally to a novel class of pyrimidinones of Formula (I): 1 that are useful as serine protease inhibitors, and more particularly as Hepatitis C virus NS3 protease inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same.

  本发明一般涉及一种新型的嘧啶酮类化合物，具有如下式（I）所示的结构，这些化合物可用作丝氨酸蛋白酶抑制剂，更具体地作为丙型肝炎病毒NS3蛋白酶抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用这些药物的方法。
• Filler for Optical Isomer Separation
  申请人：Okamoto Yoshio

  公开号：US20090124798A1

  公开（公告）日：2009-05-14

  A polymer compound derivative, obtained by modifying part of the hydroxy or amino groups of a polymer compound having the hydroxy or amino groups with molecules of a compound represented by the following general formula (I): A-X—Si(Y) n R 3-n (I), where A represents a reactive group which reacts with a hydroxy or amino group, X represents an alkylene group which has 1 to 18 carbon atoms and which may have a branch, or an arylene group which may have a substituent, Y represents a reactive group which reacts with a silanol group to form a siloxane bond, R represents an alkyl group which has 1 to 18 carbon atoms and which may have a branch, or an aryl group which may have a substituent, and n represents an integer of 1 to 3.

  一种聚合物化合物衍生物，通过将具有羟基或氨基团的聚合物化合物的部分羟基或氨基团改性为下述一般式(I)所代表的化合物分子而获得：A-X—Si(Y)nR3-n(I)，其中A代表与羟基或氨基团发生反应的反应性基团，X代表具有1至18个碳原子的可具有支链的烷基基团，或者可具有取代基的芳基基团，Y代表与硅醇基团发生反应形成硅氧烷键的反应性基团，R代表具有1至18个碳原子的可具有支链的烷基基团，或者可具有取代基的芳基基团，n代表1至3之间的整数。