N-(4-{[(2-aminophenyl)amino]carbonyl]benzyl}-3-(4-hydroxyphenyl)-5-(3-thienyl)-1H-pyrrole-2-carboxamide | 1279698-54-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-{[(2-aminophenyl)amino]carbonyl]benzyl}-3-(4-hydroxyphenyl)-5-(3-thienyl)-1H-pyrrole-2-carboxamide
• 英文别名: N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-3-yl-1H-pyrrole-2-carboxamide
• CAS: 1279698-54-2
• 化学式: C₂₉H₂₄N₄O₃S
• 分子量: 508.601
• InChiKey: SEYQQVKFMOLZCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  149
• 氢给体数：
  5
• 氢受体数：
  5

文献信息

• [EN] NEW HISTONE DEACETYLASE INHIBITORS BASED SIMULTANEOUSLY ON TRISUBSTITUTED 1H-PYRROLES AND AROMATIC AND HETEROAROMATIC SPACERS<br/>[FR] NOUVEAUX INHIBITEURS D'HISTONE DÉSACÉTYLASE BASÉS À LA FOIS SUR DES 1H-PYRROLES TRISUBSTITUÉS ET DES GROUPES ESPACEURS AROMATIQUES ET HÉTÉROAROMATIQUES
  申请人：IKERCHEM S L

  公开号：WO2011039353A1

  公开（公告）日：2011-04-07

  The present invention refers to compounds derived from trisubstituted 1H- pyrrole rings and aromatic rings, which have the following formula (I): wherein: R1 and R2 represent, independently, an optionally substituted C6-C10 aryl radical or an optionally substituted heteroaryl radical; A and M represent, independently, a methylene group or a single bond, in which case the adjacent aromatic ring would be attached directly to the amide group; the Y=Z group represents together and indistinctly an oxygen atom, a sulfur atom, a cis-vinylidene group, an imino group, or a methine group with a sp2- hybridized carbon atom; X represents indistinctly a methine group, a cis-vinylidene group or a nitrogen atom; and W represents a hydroxyl group, an optionally substituted C1-C6 alkyl group, an optionally substituted heteroaryl group or an optionally substituted C6-C10 aryl group; or a salt, solvate or prodrug thereof, as well as to the process for their preparation and the use thereof for the treatment of cancer.

  本发明涉及从三取代1H-吡咯环和芳香环衍生的化合物，其具有以下式（I）：其中：R1和R2独立地代表一个可选择取代的C6-C10芳基基团或一个可选择取代的杂环基团；A和M独立地代表一个亚甲基基团或一个单键，此时相邻的芳香环将直接连接到酰胺基团；Y=Z基团表示一起和不明确地表示一个氧原子、硫原子、顺式-乙烯基团、亚胺基团或一个带有sp2-杂化碳原子的甲基基团；X不明确地表示一个甲基基团、一个顺式-乙烯基团或一个氮原子；W表示一个羟基、一个可选择取代的C1-C6烷基基团、一个可选择取代的杂环基团或一个可选择取代的C6-C10芳基基团；或其盐、溶剂化合物或前药，以及其制备方法和用于治疗癌症的用途。
• NEW HISTONE DEACETYLASE INHIBITORS BASED SIMULTANEOUSLY ON TRISUBSTITUTED 1H-PYRROLES AND AROMATIC AND HETEROAROMATIC SPACERS
  申请人：Cossío Mora Fernando Pedro

  公开号：US20120196885A1

  公开（公告）日：2012-08-02

  The present invention refers to compounds derived from trisubstituted 1H-pyrrole rings and aromatic rings, which have the following formula (I): wherein: R 1 and R 2 represent, independently, an optionally substituted C 6 -C 10 aryl radical or an optionally substituted heteroaryl radical; A and M represent, independently, a methylene group or a single bond, in which case the adjacent aromatic ring would be attached directly to the amide group; the Y═Z group represents together and indistinctly an oxygen atom, a sulfur atom, a cis-vinylidene group, an imino group, or a methine group with a sp 2 -hybridized carbon atom; X represents indistinctly a methine group, a cis-vinylidene group or a nitrogen atom; and W represents a hydroxyl group, an optionally substituted C 1 -C 6 alkyl group, an optionally substituted heteroaryl group or an optionally substituted C 6 -C 10 aryl group; or a salt, solvate or prodrug thereof, as well as to the process for their preparation and the use thereof for the treatment of cancer.

  本发明涉及从三取代的1H-吡咯环和芳香环衍生的化合物，其具有以下公式（I）： 其中： R1和R2分别表示一个可选择取代的C6-C10芳基基团或一个可选择取代的杂环基团； A和M分别表示一个亚甲基基团或一个单键，此时相邻的芳香环将直接连接到酰胺基团； Y═Z基团一起表示一个氧原子、硫原子、顺式-乙烯基团、亚胺基团或具有sp2杂化碳原子的甲基基团； X不明确地表示一个甲基基团、顺式-乙烯基团或一个氮原子； W表示一个羟基、一个可选择取代的C1-C6烷基基团、一个可选择取代的杂环基团或一个可选择取代的C6-C10芳基基团； 或其盐、溶剂合物或前药，以及其制备方法和用于治疗癌症的用途。
• COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES
  申请人：QUIMATRYX, S.L

  公开号：EP3318256A1

  公开（公告）日：2018-05-09

  The present invention refers to the use of compounds derived from trisubstituted 1H-pyrrole rings and aromatic rings, which have the following formula (I): wherein R1 and R2 represent, independently of each other: an optionally substituted phenyl ring, or an optionally substituted 5-membered heteroaromatic ring; one of R3 and R4 is H and the other represents a group wherein W is OH or an ortho-aniline group; each A, independently of each other, represents a -CH2- group or is absent; =Y-Y= is =HC-CH=, =N-CH=, or =HC-N=; or a salt or solvate thereof, in the prevention or treatment of an autoimmune disease.

  本发明是指使用由三取代的 1H 吡咯环和芳香环衍生的化合物，这些化合物具有下式 (I)： 其中 R1 和 R2 各自代表 任选取代的苯基环，或 任选取代的 5 元杂芳环； R3 和 R4 中的一个是 H，另一个代表 其中 W 是 OH 或正苯胺基团； 每个 A 独立地代表-CH2-基团或不存在；=Y-Y= 是 =HC-CH=、=N-CH= 或 =HC-N=； 或其盐或溶液、 用于预防或治疗自身免疫性疾病。
• New histone deacetylase inhibitors based simultaneously on trisubstituted 1h-pyrroles and aromatic and heteroaromatic spacers
  申请人：Ikerchem, S.L.

  公开号：EP2483242B1

  公开（公告）日：2013-12-11
• [EN] COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE MALADIES AUTO-IMMUNES
  申请人：QUIMATRYX S L

  公开号：WO2018087082A1

  公开（公告）日：2018-05-17

  The present invention refers to the use of compounds derived from trisubstituted 1H-pyrrole rings and aromatic rings, which have the following formula (I); wherein R1and R2 represent, independently of each other: an optionally substituted phenyl ring, or an optionally substituted 5-membered heteroaromatic ring; one of R3 and R4 is H and the other represents a (A) group wherein W is OH or an ortho-aniline group; each A, independently of each other, represents a -CH2- group or is absent; =Y-Y= is =HC-CH=, =N-CH=, or =HC-N=; or a salt or solvate thereof, in the prevention or treatment of an autoimmune disease.