2-(5-Methoxy-1H-indol-3-yl)-1-(1-piperazinyl)ethanone | 610802-13-6

• 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: 2-(5-Methoxy-1H-indol-3-yl)-1-(1-piperazinyl)ethanone
• 英文别名: 2-(5-methoxy-1H-indol-3-yl)-1-piperazin-1-ylethanone
• CAS: 610802-13-6
• 化学式: C₁₅H₁₉N₃O₂
• 分子量: 273.33
• InChiKey: RTGKSCWZVIFQSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS<br/>[FR] COMPOSES D'ACIDE CARBAMIQUE COMPRENANT UN CHAINON DE PIPERAZINE TELS QUE LES INHIBITEURS HDAC
  申请人：PROLIFIX LTD

  公开号：WO2003082288A1

  公开（公告）日：2003-10-09

  This invention pertains to certain carbamic acid compounds which inhibit HDAC (histone deacetylase) activity of the following formula:[Insert formula]wherein: Cy is independently a cyclyl group; Q1 is independently a covalent bond or cyclyl leader group; the piperazin-1,4-diyl group is optionally substituted; J1 is independently a covalent bond or -C(=O)- ; J2 is independently -C(=O)- or -S(=O)2- ; Q2 is independently an acid leader group; wherein: Cy is independently: C3-20carbocyclyl, C3-20heterocyclyl, or C5-20aryl; and is optionally substituted; Q1 is independently: a covalent bond; C1-7alkylene; or C1-7alkylene-X-C1-7alkylene, -X-C1-7alkylene, or C1-7alkylene-X-, wherein X is -O- or -S-; and is optionally substituted; Q2 is independently: C4-8alkylene; and is optionally substituted; and has a backbone length of at least 4 atoms; or: Q2 is independently: C5-20arylene; C5-20arylene-C1-7alkylene; C1-7alkylene-C5-20arylene; or, C1-7alkylene-C5-20arylene-C1-7alkylene; and is optionally substituted; and has a backbone length of at least 4 atoms; or a pharmaceutically acceptable salt, solvate, amide, ester, ether, chemically protected form, or prodrug thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  本发明涉及一些碳酰胺化合物，其抑制以下式的HDAC（组蛋白去乙酰化酶）活性：[插入式]其中：Cy独立地是环烷基团；Q1独立地是共价键或环烷基团；哌嗪-1,4-二基基团可选地被取代；J1独立地是共价键或-C（=O）-；J2独立地是-C（=O）-或-S（=O）2-；Q2独立地是酸基团；其中：Cy独立地是C3-20碳环烷基、C3-20杂环烷基或C5-20芳基；并可选地被取代；Q1独立地是：共价键；C1-7烷基；或C1-7烷基-X-C1-7烷基、-X-C1-7烷基或C1-7烷基-X-，其中X是-O-或-S-；并可选地被取代；Q2独立地是：C4-8烷基；并可选地被取代；并且具有至少4个原子的骨架长度；或：Q2独立地是：C5-20芳基；C5-20芳基-C1-7烷基；C1-7烷基-C5-20芳基；或C1-7烷基-C5-20芳基-C1-7烷基；并可选地被取代；并且具有至少4个原子的骨架长度；或其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式或前药。本发明还涉及包含这种化合物的制药组合物，以及这种化合物和组合物的使用，无论是体外还是体内，用于抑制HDAC，并用于治疗由HDAC介导的疾病，如癌症、增殖性疾病、牛皮癣等。
• Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors
  申请人：Watkins J. Clare

  公开号：US20050143385A1

  公开（公告）日：2005-06-30

  This invention pertains to certain carbamic acid compounds which inhibit HDAC (histone deacetylase) activity of the following formula: wherein: Cy is independently a cyclyl group; Q 1 is independently a covalent bond or cyclyl leader group; the piperazin-1,4-diyl group is optionally substituted; J 1 is independently a covalent bond or —C(═;O)—; J 2 is independently —C(═O)— or —S(═O) 2 —; Q 2 is independently an acid leader group; wherein: Cy is independently: C 3-20 carbocyclyl, C 3-20 heterocyclyl, or C 5-20 aryl; and is optionally substituted; Q 1 is independently: a covalent bond; C 1-7 alkylene; or C 1-7 alkylene-X—C 1-7 alkylene, —X—C 1-7 alkylene, or C 1-7 alkylene-X—, wherein X is —O— or —S—; and is optionally substituted; Q 2 is independently: C 4-8 alkylene; and is optionally substituted; and has a backbone length of at least 4 atoms; or: Q 2 is independently: C 5-20 arylene; C 5-20 arylene-C 1-7 alkylene; C 1-7 alkylene-C 5-20 arylene; or, C 1-7 alkylene-C 5-20 arylene-C 1-7 alkylene; and is optionally substituted; and has a backbone length of at least 4 atoms; or a pharmaceutically acceptable salt, solvate, amide, ester, ether, chemically protected form, or prodrug thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  本发明涉及某些卡巴酸类化合物，其抑制以下式中的HDAC（组蛋白去乙酰化酶）活性：其中：Cy独立地是环烷基团；Q1独立地是共价键或环烷基团；哌嗪-1,4-二基基团可选择性取代；J1独立地是共价键或-C（═;O）-；J2独立地是-C（═O）-或-S（═O）2-；Q2独立地是酸性基团；其中：Cy独立地是C3-20碳环烷基、C3-20杂环烷基或C5-20芳基；并且可选择性取代；Q1独立地是：共价键；C1-7烷基；或C1-7烷基-X-C1-7烷基，-X-C1-7烷基或C1-7烷基-X-，其中X为-O-或-S-；并且可选择性取代；Q2独立地是C4-8烷基；并且可选择性取代；并且具有至少4个原子的骨架长度；或：Q2独立地是C5-20芳基、C5-20芳基-C1-7烷基、C1-7烷基-C5-20芳基或C1-7烷基-C5-20芳基-C1-7烷基；并且可选择性取代；并且具有至少4个原子的骨架长度；或其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式或前药。本发明还涉及包含这样的化合物的制药组合物，以及这样的化合物和组合物的使用，无论是在体外还是体内，以抑制HDAC，并用于治疗由HDAC介导的疾病，如癌症、增殖性疾病、牛皮癣等。
• CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS
  申请人：WATKINS Clare J.

  公开号：US20080269237A1

  公开（公告）日：2008-10-30

  This invention pertains to certain carbamic acid compounds which inhibit HDAC (histone deacetylase) activity of the following formula: The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  本发明涉及以下化学式中抑制HDAC（组蛋白去乙酰化酶）活性的某些碳酰胺类化合物：同时，本发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物的使用，无论是在体内还是体外，以抑制HDAC，并用于治疗由HDAC介导的疾病，如癌症、增殖性疾病、银屑病等。
• US7629343B2
  申请人：——

  公开号：US7629343B2

  公开（公告）日：2009-12-08
• US7981895B2
  申请人：——

  公开号：US7981895B2

  公开（公告）日：2011-07-19