1-[4-(4-acetyl-piperazin-1-yl)-phenyl]-ethanone | 104080-54-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(4-acetyl-piperazin-1-yl)-phenyl]-ethanone
• 英文别名: 1-acetyl-4-(4-acetylphenyl)-piperazine；Piperazine, 1-acetyl-4-(4-acetylphenyl)-；1-[4-(4-acetylpiperazin-1-yl)phenyl]ethanone
• CAS: 104080-54-8
• 化学式: C₁₄H₁₈N₂O₂
• mdl: MFCD10661446
• 分子量: 246.309
• InChiKey: AALVLJFUJNCVMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-(4-acetyl-piperazin-1-yl)-phenyl]-ethanone 在 titanium(IV) tetraethanolate 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (R)-N-[(1S)-1-[4-(4-acetylpiperazin-1-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
  参考文献：
  名称：

  [EN] N-METHYL, N-(6-(METHOXY)PYRIDAZIN-3-YL) AMINE DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATORY AIRWAY OR FIBROTIC DISEASES
  [FR] DÉRIVÉS DE N-MÉTHYL, N-(6-(MÉTHOXY)PYRIDAZIN-3-YL) AMINE SERVANT DE MODULATEURS DE L'AUTOTAXINE (ATX) POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES DES VOIES RESPIRATOIRES OU FIBROTIQUES

  摘要：

  本发明涉及N-甲基，N-(6-(甲氧基)吡啶并嗪-3-基)胺衍生物作为自动税林(ATX)调节剂，用于治疗炎症性气道或纤维化疾病，例如特发性肺病(IFF)或系统性硬皮病(SSc)。本说明披露了示例化合物的制备（例如37至45页；示例1.1至1.13）以及相关的生物数据（例如12至17页，表1至9）。一个示例化合物是l-[4-(4-{1-[(6-{[6-(三氟甲基)吡啶-3-基]甲氧基}吡啶并嗪-3-基)胺]环丙基}-苯基)哌嗪-1-基]乙酸-1-酮（示例1.1）。

  公开号：

  WO2021013833A1

文献信息

• CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF
  申请人：Sufi Bilal

  公开号：US20100145036A1

  公开（公告）日：2010-06-10

  The present disclosure provides drug-ligand conjugates and drug-cleavable substrate conjugates that are potent cytotoxins. The disclosure is also directed to compositions containing the drug-ligand conjugates, and to methods of treatment using them.

  本公开提供了药物-配体共轭物和药物可切割底物共轭物，它们是有效的细胞毒素。该公开还涉及含有药物-配体共轭物的组合物，以及使用它们的治疗方法。
• METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20190290778A1

  公开（公告）日：2019-09-26

  Provided herein, inter alia, are methods and compounds for targeted autophagy.

  本文提供了针对靶向自噬的方法和化合物。
• Phenylazole compounds production process and antioxidants
  申请人：Umeda Nobuhiro

  公开号：US20060247228A1

  公开（公告）日：2006-11-02

  The present invention is directed to compounds represented by the formula (1): B-D-Z  (1) [wherein B represent the following formula (B-1), (B-2) or (B-3); A represents an optionally substituted imidazole or pyrazole group; E represents the following formula (1a): X represents an oxygen atom, the formula: SOu, or the formula: N—R 9 ; Y represents a carbon atom or a nitrogen atom; D represents an oxygen atom, a sulfur atom or the formula (1a); Z represents (a chroman-2-yl group, a chroman-4-yl group, a 2,3-dihydrobenzofuran-2-yl group, a 2,3-dihydrobenzofuran-3-yl group, etc.) which is substituted with NHR 10 or OR 11 )] or pharmaceutically acceptable salts thereof, and to antioxidants, therapeutic agents for kidney diseases or cerebrovascular disorder, and retinal oxidative damage inhibitors, which include the compounds as the active ingredient.

  本发明涉及由式（1）表示的化合物：B-D-Z  （1）[其中B代表以下式（B-1），（B-2）或（B-3）;A代表可选取代的咪唑或吡唑基团;E代表以下式（1a）：X代表氧原子，式：SOu或式：N-R9; Y代表碳原子或氮原子;D代表氧原子、硫原子或式（1a）;Z代表（取代NHR10或OR11的香豆素-2-基基团、香豆素-4-基基团、2,3-二氢苯并呋喃-2-基基团、2,3-二氢苯并呋喃-3-基基团等）或其药学上可接受的盐，并且包括这些化合物作为活性成分的抗氧化剂、肾脏疾病或脑血管障碍治疗剂和视网膜氧化损伤抑制剂。
• PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS
  申请人：Umeda Nobuhiro

  公开号：US20090306055A1

  公开（公告）日：2009-12-10

  The present invention is directed to compounds represented by the formula (1): B-D-Z (1), wherein B represent the following formula (B-1), A represents an optionally substituted imidazole or pyrazole group; E represents the following formula (1a): X represents an oxygen atom, the formula: SOu, or the formula: N—R 9 ; Y represents a carbon atom or a nitrogen atom; D represents an oxygen atom, a sulfur atom or the formula (1a); Z represents (a chroman-2-yl group, a chroman-4-yl group, a 2,3-dihydrobenzofuran-2-yl group, a 2,3-dihydrobenzofuran-3-yl group, etc.) which is substituted with NHR 10 or OR 11 )] or pharmaceutically acceptable salts thereof, and to antioxidants, therapeutic agents for kidney diseases or cerebrovascular disorder, and retinal oxidative damage inhibitors, which include the compounds as the active ingredient.

  本发明涉及由式(1)表示的化合物：B-D-Z(1)，其中B代表以下式(B-1)，A代表可选取代的咪唑或吡唑基团；E代表以下式(1a)：X代表氧原子，式：SOu，或式：N—R9；Y代表碳原子或氮原子；D代表氧原子、硫原子或式(1a)；Z代表（一个被NHR10或OR11取代的2-色基基团、4-色基基团、2,3-二氢苯并呋喃-2-基基团、2,3-二氢苯并呋喃-3-基基团等）或其药学上可接受的盐，以及将该化合物作为活性成分的抗氧化剂、肾脏疾病或脑血管疾病的治疗剂和视网膜氧化损伤抑制剂。
• CLASS OF HISTONE DEACETYLASE INHIBITORS
  申请人：Mai Antonello

  公开号：US20100113438A1

  公开（公告）日：2010-05-06

  New histone deacetylase inhibitors according to the general formula (I) wherein: Q is a bond, CH 2 , CH—NR 3 R 4 , NR 5 or oxygen, X is CH or nitrogen, Y is a bond, CH 2 , oxygen or NR 6 , Z is CH or nitrogen, R 1 , R 2 are, independently, hydrogen, halogen, C 1 -C 6 alkyl or C 1 -C 6 haloalkyl, R 11 , R 12 are, independently, hydrogen or C 1 -C 6 alkyl, and R 3 , R 4 , R 5 and R 6 are as further defined in the specification.

  新的组蛋白去乙酰化酶抑制剂具有以下通式（I）：其中：Q是键，CH2，CH—NR3R4，NR5或氧，X是CH或氮，Y是键，CH2，氧或NR6，Z是CH或氮，R1，R2分别是氢，卤素，C1-C6烷基或C1-C6卤代烷基，R11，R12分别是氢或C1-C6烷基，R3，R4，R5和R6如规范中所进一步定义。