methyl 6-ethyl-1H-indole-2-carboxylate | 881040-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: methyl 6-ethyl-1H-indole-2-carboxylate
• CAS: 881040-68-2
• 化学式: C₁₂H₁₃NO₂
• mdl: MFCD06653404
• 分子量: 203.241
• InChiKey: YATMXAJZDDOCOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 6-ethyl-1H-indole-2-carboxylate 在 sodium hydride 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 24.25h， 生成 3-((4-chlorophenyl)thio)-6-ethyl-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  Design of Potent Poxvirus Inhibitors of the Heterodimeric Processivity Factor Required for Viral Replication

  摘要：

  Smallpox constitutes a major bioterrorism threat, which underscores the need to develop antiviral drugs for rapid response in the event of an attack. Viral processivity factors are attractive drug targets in being both specific and essential for their cognate DNA polymerases to synthesize extended strands of DNA. An in silico model of the vacinnia virus processivity factor, comprised of the A20 and D4 heterocomplex, was constructed and used for lead optimization of an indole-based scaffold identified earlier from a high-throughput screening. On the basis of this model, a new class of potent antivirals against vaccinia virus was designed and synthesized, of which two (24a and 24b) exhibited superior improvement over the parent scaffold (IC50 = 42 and 46 vs 82000 nM, respectively). The ability of 24a to suppress vaccinia DNA synthesis is supported by the inhibition of late viral gene expression, as well as by the diminished incorporation of bromodeoxyuridine into viral replication factories.

  DOI：

  10.1021/jm301735k
• 作为产物：
  描述：

  methyl 2-azido-3-(4-ethylphenyl)acrylate 以 对二甲苯 为溶剂， 反应 3.0h， 以to provide 0.52 g (59%) of product 37 as a pale yellow solid的产率得到methyl 6-ethyl-1H-indole-2-carboxylate
  参考文献：
  名称：

  Potent poxvirus inhibitor

  摘要：

  本发明提供了式(I)、(II)、(III)和(IV)的化合物，如规范中所定义，并且包括相同的制药组合物，以及使用这些化合物或组合物抑制、治疗或消除主体中的痘病毒感染的方法。

  公开号：

  US09233921B2

文献信息

• 9-SUBSTITUTED 8-OXOADENINE COMPOUND
  申请人：KURIMOTO Ayumu

  公开号：US20110306610A1

  公开（公告）日：2011-12-15

  The present invention provides an 8-oxoadenine compound having immunemodulating activities such as an interferon inducing activity and useful as an antiviral agent and antiallergic agent, which is represented by the following formula (1): [wherein the ring A represents a 6-10 membered aromatic carbocyclic ring and the like, R represents a halogen atom, an alkyl group and the like, n represents an integer of 0-2, Z 1 represents alkylene, X 2 represents oxygen atom, sulfur atom, SO 2 , NR 5 , CO, CONR 5 , NR 5 CO and the like, Y 1 , Y 2 and Y 3 represent independently a single bond or an alkylene group, X 1 represents oxygen atom, sulfur atom, NR 4 (R 4 is hydrogen atom or an alkyl group) or a single bond, R 2 represents a substituted or unsubstituted alkyl group, R 1 represents hydrogen atom, hydroxy group, an alkoxy group, an alkoxycarbonyl group or a haloalkyl group] or its pharmaceutically acceptable salt.

  本发明提供了一种具有免疫调节活性的8-氧腺嘌呤化合物，例如干扰素诱导活性，并且作为抗病毒剂和抗过敏剂有用，其由以下式子（1）表示：[其中，环A表示6-10个成员的芳香环烃环等，R表示卤素原子，烷基等，n表示0-2的整数，Z1表示烷基，X2表示氧原子，硫原子，SO2，NR5，CO，CONR5，NR5CO等，Y1，Y2和Y3表示独立的单键或烷基，X1表示氧原子，硫原子，NR4（R4为氢原子或烷基）或单键，R2表示取代或未取代的烷基，R1表示氢原子，羟基，烷氧基，烷氧羰基或卤代烷基]或其药学上可接受的盐。
• 9-Substituted 8-Oxoadenine Compound
  申请人：Kurimoto Ayumu

  公开号：US20140045837A1

  公开（公告）日：2014-02-13

  The present invention provides an 8-oxoadenine compound having immunomodulating activities such as an interferon inducing activity and useful as an antiviral agent and antiallergic agent, which is represented by the following formula (1): [wherein the ring A represents a 6-10 membered aromatic carbocyclic ring and the like, R represents a halogen atom, an alkyl group and the like, n represents an integer of 0-2, Z 1 represents alkylene, X 2 represents oxygen atom, sulfur atom, SO 2 , NR 5 , CO, CONR 5 , NR 5 CO and the like, Y 1 , Y 2 and Y 3 represent independently a single bond or an alkylene group, X 1 represents oxygen atom, sulfur atom, NR 4 (R 4 is hydrogen atom or an alkyl group) or a single bond, R 2 represents a substituted or unsubstituted alkyl group, R 1 represents hydrogen atom, hydroxy group, an alkoxy group, an alkoxycarbonyl group or a haloalkyl group] or its pharmaceutically acceptable salt.

  本发明提供了一种具有免疫调节活性的8-氧腺嘌呤化合物，例如干扰素诱导活性，并可用作抗病毒剂和抗过敏剂，其化学式表示为（1）：[其中环A代表6-10个成员的芳香环烃环等，R代表卤素原子，烷基等，n代表0-2的整数，Z1代表烷基，X2代表氧原子，硫原子，SO2，NR5，CO，CONR5，NR5CO等，Y1，Y2和Y3分别代表单键或烷基，X1代表氧原子，硫原子，NR4（R4为氢原子或烷基）或单键，R2代表取代或未取代的烷基，R1代表氢原子，羟基，烷氧基，烷氧羰基或卤代烷基]或其药学上可接受的盐。
• Potent poxvirus inhibitor
  申请人：The Trustees of the University of Pennsylvania

  公开号：US09233921B2

  公开（公告）日：2016-01-12

  This invention provides compounds of formulas (I), (II), (III), and (IV) as defined in the specification, and pharmaceutical compositions comprising the same, and methods of inhibiting, treating, or abrogating a poxvirus infection in a subject using the compounds or compositions.

  本发明提供了式(I)、(II)、(III)和(IV)的化合物，如规范中所定义，并且包括相同的制药组合物，以及使用这些化合物或组合物抑制、治疗或消除主体中的痘病毒感染的方法。
• US2014/343114
  申请人：——

  公开号：——

  公开（公告）日：——
• US20140343114A1
  申请人：——

  公开号：——

  公开（公告）日：——