(9CI)-噻吩并[2,3-c]吡啶-2-羧醛 | 203922-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 中文名称: (9CI)-噻吩并[2,3-c]吡啶-2-羧醛
• 中文别名: 噻吩并[2,3-C]吡啶-2-甲醛
• 英文名称: thieno[2,3-c]pyridine-2-carbaldehyde
• CAS: 203922-18-3
• 化学式: C₈H₅NOS
• mdl: MFCD11052828
• 分子量: 163.2
• InChiKey: WVSKUUMKOLSXHM-UHFFFAOYSA-N

物化性质

• 沸点：
  339.2±22.0 °C(Predicted)
• 密度：
  1.384±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (9CI)-噻吩并[2,3-c]吡啶-2-羧醛 在 palladium on activated charcoal sodium hydroxide 、 D(+)-10-樟脑磺酸 、 氢气 、 sodium hydride 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Orally bioavailable highly potent HIV protease inhibitors against PI-resistant virus

  摘要：

  Efforts directed to identifying potent HIV protease inhibitors (PI) have yielded a class of compounds that are not only very active against wild-type (NL4-3) HIV virus but also very potent against a panel of PI-resistant viral isolates. Chemistry and biology are described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.072
• 作为产物：
  描述：

  噻吩[2,3-C]并吡啶 、 N,N-二甲基甲酰胺 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.33h， 以50%的产率得到(9CI)-噻吩并[2,3-c]吡啶-2-羧醛
  参考文献：
  名称：

  Rational design of novel CYP2A6 inhibitors

  摘要：

  Inhibition of CYP2A6-mediated nicotine metabolism can reduce cigarette smoking. We sought potent and selective CYP2A6 inhibitors to be used as leads for drugs useful in smoking reduction therapy, by evaluating CYP2A6 inhibitory effect of novel formyl, alkyl amine or carbonitrile substituted aromatic core structures. The most potent CYP2A6 inhibitors were thienopyridine-2-carbaldehyde, benzothienophene-3-ylmethanamine, benzofuran-5-carbaldehyde and indole-5-carbaldehyde, with IC50 values below 0.5 mu M for coumarin 7-hydroxylation. Nicotine oxidation was effectively inhibited in vitro by two alkyl amine compounds and benzofuran-5-carbonitrile. Some of these molecules could serve as potential lead molecules when designing CYP2A6 inhibitory drugs for smoking reduction therapy. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.10.001

文献信息

• Kinase inhibitors as therapeutic agents
  申请人：Cusack Kevin

  公开号：US20060074102A1

  公开（公告）日：2006-04-06

  A compound or pharmaceutically acceptable salts thereof of Formula (I) wherein the substituents are as defined herein, which are useful as kinase inhibitors.

  式(I)化合物或其药学上可接受的盐，其中取代基如本文所定义，可用作激酶抑制剂。
• NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS
  申请人：Searle Xenia B.

  公开号：US20110281870A1

  公开（公告）日：2011-11-17

  The present application relates to calcium channel inhibitors containing compounds of formula (I) wherein L 1 , L 2 , R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式(I)化合物的钙通道抑制剂，其中L1，L2，R1，R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物和使用这种化合物和组合物治疗疾病和疾病的方法。
• Nerenz, Heiko; Meier, Martin; Grahn, Walter, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1998, # 2, p. 437 - 447
  作者：Nerenz, Heiko、Meier, Martin、Grahn, Walter、Reisner, Axel、Schmaelzlin, Elmar、Stadler, Stefan、Meerholz, Klaus、Braeuchle, Christoph、Jones, Peter G.

  DOI：——

  日期：——
• KINASE INHIBITORS AS THERAPEUTIC AGENTS
  申请人：ABBOTT LABORATORIES

  公开号：EP1753428A2

  公开（公告）日：2007-02-21
• [EN] KINASE INHIBITORS AS THERAPEUTIC AGENTS<br/>[FR] INHIBITEURS DE KINASES EN TANT QU'AGENTS THERAPEUTIQUES
  申请人：ABBOTT LAB

  公开号：WO2005110410A2

  公开（公告）日：2005-11-24

  A compound or pharmaceutically acceptable salts thereof of Formula (I) wherein the substituents are as defined herein, which are useful as kinase inhibitors.