indolo<7,6-d>benzothiophene-2-carboxylic acid ethyl ester | 97583-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: indolo<7,6-d>benzothiophene-2-carboxylic acid ethyl ester
• 英文别名: ethyl 1H-[1]benzothieno[2,3-g]indole-2-carboxylate；ethyl 1H-[1]benzothiolo[2,3-g]indole-2-carboxylate
• CAS: 97583-79-4
• 化学式: C₁₇H₁₃NO₂S
• 分子量: 295.362
• InChiKey: CXFDOQDGELADIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  indolo<7,6-d>benzothiophene-2-carboxylic acid ethyl ester 在 氢氧化钾 、 水 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 indolo<7,6-d>benzothiophene
  参考文献：
  名称：

  Indolobenzothiophenes. 3. Synthesis and properties of indolo[7,6-d]- and indolo[6,7-d]benzo[b]thiophenes

  摘要：

  DOI：

  10.1007/bf00504209
• 作为产物：
  描述：

  2-(Dibenzothiophen-1-yl-hydrazono)-propionic acid ethyl ester 以73%的产率得到
  参考文献：
  名称：

  XOSHTARIYA, T. E.;KURKOVSKAYA, L. N.;KULESHEVA, L. N.;SUVOROV, N. N., XIMIYA GETEROTSIKL. SOEDIN., 1985, N 2, 236-240

  摘要：

  DOI：

文献信息

• Phenanthro[2,3-6]thiophene derivatives, pharmaceutical compositions and
  申请人：Burroughs Wellcome Co.

  公开号：US04910218A1

  公开（公告）日：1990-03-20

  The present invention relates to anti tumor compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 29 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a fused tetracyclic aromatic ring system comprised of 5-membered and 6-membered rings and contains at least one heteroatom and 3 aromatic rings and a total of no more than 18 ring atoms, or a substituted derivative thereof; the heteroatom is preferably oxygen, sulfur or nitrogen; when it is nitrogen this is substituted by hydrogen, methyl or ethyl; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-5 alkyl optionally substituted by hydroxy; R.sup.8 and R.sup.9 are the same or different and each is hydrogen or C.sub.1-3 alkyl; ##STR2## is a five or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methyl; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.

  本发明涉及式（I）ArCH.sub.2 R.sup.1（I）或其单甲基或单乙基醚（式（I）的化合物包括这些醚，总碳原子数不超过29）的抗肿瘤化合物；它们的醚，酯；酸加成盐；其中Ar是由5元环和6元环组成的融合四环芳香环系统，并含有至少一个杂原子和3个芳香环，总环原子数不超过18，或其取代衍生物；杂原子最好是氧、硫或氮；当它是氮时，被氢、甲基或乙基取代；R.sup.1含有不超过八个碳原子，是一个组##STR1##其中m为0或1；R.sup.5为氢；R.sup.6和R.sup.7相同或不同，每个都是氢或C.sub.1-5烷基，可选择地被羟基取代；R.sup.8和R.sup.9相同或不同，每个都是氢或C.sub.1-3烷基；##STR2##是一个五元或六元饱和碳环；R.sup.10为氢、甲基或羟甲基；R.sup.11、R.sup.12和R.sup.13相同或不同，每个都是氢或甲基；R.sup.14为氢、甲基、羟基或羟甲基。
• Tetracyclic heterocyclic derivatives, pharmaceutical compositions and use
  申请人：Burroughs Wellcome Co.

  公开号：US04999369A1

  公开（公告）日：1991-03-12

  The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 29 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a fused tetracyclic aromatic ring system comprised of 5-membered and 6-membered rings and contains at least one heteroatom and 3 aromatic rings and a total of no more than 18 ring atoms, or a substituted derivative thereof; the heteroatom is preferably oxygen, sulfur or nitrogen; when it is nitrogen this is substituted by hydrogen, methyl or ethyl; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-5 alkyl optionally substituted by hydroxy; R.sup.8 and R.sup.9 are the same or different and each is hydrogen or C.sub.1-3 alkyl; ##STR2## is a five or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methyl; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.

  本发明涉及化合物式（I）ArCH.sub.2R.sup.1（I）或其单甲基或单乙基醚（式（I）的化合物包括这些醚，总碳原子数不超过29）；它们的醚，酯；酸加成盐；其中Ar是由5元环和6元环组成的融合四环芳香环系，含有至少一个杂原子和3个芳香环，环原子总数不超过18个，或其取代衍生物；杂原子最好是氧、硫或氮；当它是氮时，它被氢、甲基或乙基取代；R.sup.1含有不超过8个碳原子，是一个基团##STR1##其中m为0或1；R.sup.5是氢；R.sup.6和R.sup.7相同或不同，每个都是氢或C.sub.1-5烷基，可选地被羟基取代；R.sup.8和R.sup.9相同或不同，每个都是氢或C.sub.1-3烷基；##STR2##是一个五元环或六元环饱和碳环；R.sup.10是氢、甲基或羟甲基；R.sup.11、R.sup.12和R.sup.13相同或不同，每个都是氢或甲基；R.sup.14是氢、甲基、羟基或羟甲基。
• US4910218A
  申请人：——

  公开号：US4910218A

  公开（公告）日：1990-03-20
• US4999369A
  申请人：——

  公开号：US4999369A

  公开（公告）日：1991-03-12