methyl 3-iodothiophene-4-carboxylate | 88770-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: methyl 3-iodothiophene-4-carboxylate
• 英文别名: methyl 4-iodo-3-thiophenecarboxylate；4-iodothiophene-3-carboxylic acid methyl ester；methyl 4-iodothiophene-3-carboxylate；methyl-3-iodo-4-thiophenecarboxylate
• CAS: 88770-15-4
• 化学式: C₆H₅IO₂S
• 分子量: 268.075
• InChiKey: GDCAMBNIBCXENH-UHFFFAOYSA-N

物化性质

• 沸点：
  266.8±20.0 °C(Predicted)
• 密度：
  1.930±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-iodothiophene-4-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以100%的产率得到4-碘噻吩-3-羧酸
  参考文献：
  名称：

  Corral, Carlos; Lasso, Ana; Lissavetzky, Jaime, Heterocycles, 1985, vol. 23, # 6, p. 1431 - 1435

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基噻吩-3-羧酸甲酯 在 盐酸 、 potassium iodide 、 sodium nitrite 作用下， 生成 methyl 3-iodothiophene-4-carboxylate
  参考文献：
  名称：

  Corral, Carlos; Lasso, Ana; Lissavetzky, Jaime, Heterocycles, 1985, vol. 23, # 6, p. 1431 - 1435

  摘要：

  DOI：

文献信息

• FIBROSIS INHIBITOR
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1479384A1

  公开（公告）日：2004-11-24

  Medicament being useful as a fibrosis inhibitor for organs or tissues, which comprises a compound of the formula (I): wherein Ring Z is optionally substituted pyrrole ring, etc.; W2 is -CO-, -SO2-, optionally substituted C1-C4 alkylene, etc.; Ar2 is optionally substituted aryl, etc.; W1 and Ar1 mean the following (1) and (2): (1) W1 is optionally substituted C1-C4 alkylene, etc.; Ar1 is optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms: (2) W1 is optionally substituted C2-C5 alkylene, optionally substituted C2-C5 alkenylene, etc.; and Ar1 is aryl or monocyclic heteroaryl, which is substituted by carboxyl, alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W1, or a pharmaceutically acceptable salt thereof.

  药物作为器官或组织的纤维化抑制剂而有用，包括具有以下式（I）的化合物： 其中环Z是可选择取代的吡咯环等；W2是-CO-，-SO2-，可选择取代的C1-C4烷基等；Ar2是可选择取代的芳基等；W1和Ar1表示如下（1）和（2）： （1）W1是可选择取代的C1-C4烷基等；Ar1是可选择取代的具有1至4个氮原子作为环形成原子的双环杂芳基： （2）W1是可选择取代的C2-C5烷基，可选择取代的C2-C5烯基等；以及 Ar1是芳基或单环杂芳基，其在相对于W1的结合位置的邻位或间位处被羧基，烷氧羰基等取代， 或其药学上可接受的盐。
• Pyrrole derivatives
  申请人：——

  公开号：US20030181496A1

  公开（公告）日：2003-09-25

  Pyrrole derivatives represented by the following formula: 1 wherein Ring Z is an optionally substituted pyrrole ring, etc.; W 2 is —CO—, —SO 2 —, an optionally substituted C 1 -C 4 alkylene, etc.; Ar 2 is an optionally substituted aryl, etc.; W 2 and Ar 1 mean the following (1) and (2): (1) W 1 is an optionally substituted C 1 -C 4 alkylene, etc.; Ar 1 is an optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms: (2) W 1 is an optionally substituted C 2 -C 5 alkylene, an optionally substituted C 2 -C 5 alkenylene, etc.; and Ar 1 is an aryl or monocyclic heteroaryl, which are substituted by carboxyl, an alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W 1 , or a pharmaceutically acceptable salt thereof These compounds are useful as medicaments such as a fibrosis inhibitor for organs or tissues.

  以下是用中文翻译的结果： 由以下公式表示的吡咯衍生物： 其中环Z是可选择取代的吡咯环等；W 2 是—CO—，—SO 2 —，可选择取代的C 1 -C 4 烷基等；Ar 2 是可选择取代的芳基等；W 2 和Ar 1 表示如下（1）和（2）： （1）W 1 是可选择取代的C 1 -C 4 烷基等；Ar 1 是具有1至4个氮原子作为环形成原子的可选择取代的双环杂芳基： （2）W 1 是可选择取代的C 2 -C 5 烷基，可选择取代的C 2 -C 5 烯基等；Ar 1 是芳基或单环杂芳基，其在与W 1 的结合位置相对应的邻位或间位处被羧基，烷氧羰基等取代， 或其药学上可接受的盐 这些化合物可用作器官或组织的纤维化抑制剂等药物。
• Retinoic acid X-receptor ligands
  申请人：Hoffmann-La Roche Inc.

  公开号：US05801253A1

  公开（公告）日：1998-09-01

  Compounds of formula (I) wherein R.sup.1 -R.sup.7, R.sup.10, X and the dotted bond have the meaning given in the specification, bind selectively to retinoid RXR receptors and are useful as antiproliferative agents for dermatological and oncological indications.

  式（I）中的化合物，其中R.sup.1 -R.sup.7，R.sup.10，X和点线键具有规范中给定的含义，可选择性地结合到视黄醇RXR受体，并可用作皮肤病和肿瘤学适应症的抗增殖剂。
• Novel compounds having 4-pyridylalkylthio group as substituent
  申请人：Honda Takahiro

  公开号：US20060194836A1

  公开（公告）日：2006-08-31

  A subject of the present invention is to provide a novel aromatic five- or six-memberd heterocyclic derivative having 4-pyridylalkylthio as a substituent or a salt thereof which is useful as a pharmaceutical. Compound represented by the following general formula [I] or salts thereof are useful as therapeutic agents for diseases in which angiogenesis or augmentation of vascular permeability is involved. In the formula, ring “A” is a benzene ring or an aromatic five- or six-memberd heterocycle which can be fused with a cycloalkane ring, “B” is alkylene, R 1 and R 2 , the same or different, are H, OH, substituted or unsubstituted alkoxy and the like, X and Y, the same or different, are group(s) selected from H, halogen, OH, substituted or unsubstituted alkoxy and the like respectively, p is 0, 1 or 2, and q is 0 or 1.

  本发明的目的是提供一种新的芳香性五元或六元杂环衍生物，其具有4-吡啶基烷硫基取代基或其盐，可作为药物使用。以下通式[I]所表示的化合物或其盐可用作治疗涉及血管生成或增强血管渗透性的疾病的治疗剂。其中，环“A”是苯环或芳香性五元或六元杂环，可以与环状烷基环融合，“B”是烷基，R1和R2，相同或不同，是H、OH、取代或未取代的烷氧基等，X和Y，相同或不同，分别是选择自H、卤素、OH、取代或未取代的烷氧基等的基团，p为0、1或2，q为0或1。
• Fibrosis inhibitor
  申请人：Tokunaga Teruhisa

  公开号：US20050227978A1

  公开（公告）日：2005-10-13

  Medicament being useful as a fibrosis inhibitor for organs or tissues, which comprises a compound of the formula (I): wherein Ring Z is optionally substituted pyrrole ring, etc.; W 2 is —CO—, —SO 2 —, optionally substituted C 1 -C 4 alkylene, etc.; Ar 2 is optionally substituted aryl, etc.; W 1 and Ar 1 mean the following (1) and (2): (1) W 1 is optionally substituted C 1 -C 4 alkylene, etc.; Ar 1 is optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms: (2) W 1 is optionally substituted C 2 -C 5 alkylene, optionally substituted C 2 -C 5 alkenylene, etc.; and Ar 1 is aryl or monocyclic heteroaryl, which is substituted by carboxyl, alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W 1 , or a pharmaceutically acceptable salt thereof.

  药物作为纤维化抑制剂对器官或组织有用，包括式(I)的化合物，其中环Z是可选取代的吡咯环等; W2是- CO-，-SO2-，可选取代的C1-C4烷基等; Ar2是可选取代的芳基等; W1和Ar1表示以下(1)和(2):(1)W1是可选取代的C1-C4烷基等; Ar1是具有1至4个氮原子作为环形成原子的可选取代的双环杂环芳基;(2)W1是可选取代的C2-C5烷基，可选取代的C2-C5烯基等; Ar1是芳基或单环杂环芳基，其在与W1的结合位置相对的邻位或间位上被羧基，烷氧基羰基等取代，或其药学上可接受的盐。