N-烯丙基-2-氯-N-苯基乙酰胺 | 60901-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-烯丙基-2-氯-N-苯基乙酰胺
• 英文名称: N-allyl-α-chloroacetanilide
• 英文别名: N-allyl-N-phenyl-2-chloroacetamide；N-(2-Chlor-allyl)-N-chloracetyl-anilin；2-chloro-N-phenyl-N-2-propenyl-acetamide；N-allyl-2-chloro-N-phenylacetamide；2-chloro-N-phenyl-N-prop-2-enylacetamide
• CAS: 60901-60-2
• 化学式: C₁₁H₁₂ClNO
• mdl: MFCD03030400
• 分子量: 209.675
• InChiKey: QSAYWAKBIPTVNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-烯丙基-2-氯-N-苯基乙酰胺 在 sodium periodate 、 sodium ethanolate 、 sodium acetate 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 反应 20.0h， 生成 α-acetoxy-N-allyl-α-(phenylthio)acetanilide
  参考文献：
  名称：

  Sato, Tatsunori; Wada, Yasuko; Nishimoto, Mami, Journal of the Chemical Society. Perkin transactions I, 1989, p. 879 - 886

  摘要：

  DOI：

文献信息

• THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF
  申请人：The University of Tokyo

  公开号：US20190177336A1

  公开（公告）日：2019-06-13

  It is an object of the present invention to provide a compound inhibiting the binding between ALS-related mutant SOD1 and Derlin-1, a medicament comprising the compound, and a method for treating ALS by administering the medicament to a patient. More specifically, the aforementioned compound is represented by the following formula (1): wherein X represents a sulfur atom or —CH═CH—; A 1 to A 4 each independently represent a carbon atom or a nitrogen atom, and at least one of A 1 to A 4 is a nitrogen atom; R 1 represents a 1,2,3,4-tetrahydroquinolyl group (or a 3,4-dihydro-1(2H)-quinolyl group), a 3,4-dihydro-4,4-dimethyl-1(2H)-quinolyl group, a 2,3,4,5-tetrahydro-1H-1-benzazepinyl group, or a substituent represented by the following formula (2): wherein R 4 represents an unsubstituted or optionally substituted phenyl group, an unsubstituted or optionally substituted pyridyl group, or an unsubstituted or optionally substituted naphthyl group, and R 5 represents any one of a hydrogen atom, a lower alkyl group, a lower alkenyl group, a lower alkynyl group (optionally containing an oxygen atom and/or a double bond), or an unsubstituted or optionally substituted aromatic lower alkyl group; R 2 represents a hydrogen atom, a lower alkyl group, a lower acyl group, or an unsubstituted or optionally substituted aromatic lower alkyl group; and R 3 represents a hydrogen atom, or R 2 and R 3 may bind to each other to form a ring.

  本发明的目的是提供一种抑制ALS相关突变SOD1和Derlin-1结合的化合物，包括该化合物的药物以及通过向患者施用该药物治疗ALS的方法。具体而言，上述化合物由以下公式（1）表示：其中X表示硫原子或-CH═CH-；A1至A4分别独立表示碳原子或氮原子，且至少有一个为氮原子；R1表示1,2,3,4-四氢喹啉基（或3,4-二氢-1（2H）-喹啉基），3,4-二氢-4,4-二甲基-1（2H）-喹啉基，2,3,4,5-四氢-1H-1-苯并氮杂环基或由以下公式（2）表示的取代基：其中R4表示未取代或可选取代的苯基，未取代或可选取代的吡啶基或未取代或可选取代的萘基，而R5表示氢原子，低碳基，低烯基，低炔基（可选含氧原子和/或双键）或未取代或可选取代的芳香基低碳基中的任意一种；R2表示氢原子，低碳基，低酰基或未取代或可选取代的芳香基低碳基；而R3表示氢原子，或R2和R3可结合形成环。
• Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof
  申请人：The University of Tokyo

  公开号：US10689394B2

  公开（公告）日：2020-06-23

  A compound represented by the following formula (1) is provided: wherein X represents a sulfur atom or —CH═CH—; A1 to A4 each independently represent a carbon atom or a nitrogen atom, and at least one of A1 to A4 is a nitrogen atom; R1 represents any one of a 1,2,3,4-tetrahydroquinolyl group (or a 3,4-dihydro-1(2H)-quinolyl group), a 3,4-dihydro-4,4-dimethyl-1(2H)-quinolyl group, a 2,3,4,5-tetrahydro-1H-1-benzazepinyl group, or a substituent represented by the following formula (2): wherein R4 represents a 2,3,4-trifluorophenyl group, a 4-iodophenyl group, a 2,3-difluorophenyl group, a 3,5-difluorophenyl group, a 5-fluoro-2-methylphenyl group, a 3-pentafluorosulfanylphenyl group, a 2,6-dimethylphenyl group, a 4-benzyloxyphenyl group, a 3,5-bis(trifluoromethyl)biphenyl group, a 4-tert-butylphenyl group, a 3-methoxyphenyl group, an unsubstituted or substituted pyridyl group, or an unsubstituted or substituted naphthyl group; R5 represents a hydrogen atom, a lower alkyl group, a lower alkenyl group, a lower alkynyl group optionally containing an oxygen atom and/or a double bond, or an unsubstituted or substituted aromatic lower alkyl group; R2 represents a hydrogen atom, a lower alkyl group, a lower acyl group, or an unsubstituted or substituted aromatic lower alkyl group; and R3 represents a hydrogen atom, or R2 and R3 may bind to each other to form a ring.

  提供了下式（1）所代表的化合物： 其中X代表硫原子或-CH═CH-；A1至A4各自独立地代表碳原子或氮原子，且A1至A4中至少有一个是氮原子；R1 代表 1，2，3，4-四氢喹啉基（或 3，4-二氢-1(2H)-喹啉基）、3，4-二氢-4，4-二甲基-1(2H)-喹啉基、2，3，4，5-四氢-1H-1-苯并氮杂卓基或下式(2)所代表的取代基中的任一个： 其中 R4 代表 2,3,4-三氟苯基基团、4-碘苯基基团、2,3-二氟苯基基团、3,5-二氟苯基基团、5-氟-2-甲基苯基基团、3-五氟硫代苯基基团、2,6-二甲基苯基基团4-苄氧基苯基、3,5-双（三氟甲基）联苯基、4-叔丁基苯基、3-甲氧基苯基、未取代或取代的吡啶基或未取代或取代的萘基；R5 代表氢原子、低级烷基、低级烯基、任选含有氧原子和/或双键的低级炔基、或未取代或取代的芳香族低级烷基； R2 代表氢原子、低级烷基、低级酰基、或未取代或取代的芳香族低级烷基；以及 R3 代表氢原子，或 R2 和 R3 可相互结合形成一个环。
• SATO, TATSUNORI;WADA, YASUKO;NISHIMOTO, MAMI;ISHIBASHI, HIROYUKI;IKEDA, M+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 879-886
  作者：SATO, TATSUNORI、WADA, YASUKO、NISHIMOTO, MAMI、ISHIBASHI, HIROYUKI、IKEDA, M+

  DOI：——

  日期：——
• US3965139A
  申请人：——

  公开号：US3965139A

  公开（公告）日：1976-06-22
• US4258196A
  申请人：——

  公开号：US4258196A

  公开（公告）日：1981-03-24