1-Heptanoyl-piperazin | 830331-56-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-Heptanoyl-piperazin
• 英文别名: 1-(Piperazin-1-YL)heptan-1-one；1-piperazin-1-ylheptan-1-one
• CAS: 830331-56-1
• 化学式: C₁₁H₂₂N₂O
• mdl: MFCD11939194
• 分子量: 198.308
• InChiKey: IDHKBYAENYRHIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Heptanoyl-piperazin 、 5-(4-氯苯胺甲基)噻吩-2-磺酰氯 在 polymer-bound morpholine 、 polymer-bound aminobenzene 、 polymer-bound isocyanate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.5h， 生成 4-Chloro-N-[5-(4-heptanoyl-piperazine-1-sulfonyl)-thiophen-2-ylmethyl]-benzamide
  参考文献：
  名称：

  Design, Synthesis, and Biological Activity of Novel, Potent, and Selective (Benzoylaminomethyl)thiophene Sulfonamide Inhibitors of c-Jun-N-Terminal Kinase

  摘要：

  Several lines of evidence support the hypothesis that c-Jun N-terminal kinases (JNKs) play a critical role in a wide range of disease states including cell death (apoptosis)-related and inflammatory disorders (epilepsy, brain, heart and renal ischemia, neurodegenerative diseases, multiple sclerosis, rheumatoid arthritis, and inflammatory bowel syndrome). The screening of a compound collection led to the identification of a 2-(benzoylaminomethyl)thiophene sulfonamide (AS004509, compound I) as a potent and selective JNK inhibitor. Chemistry and structure-activity relationship (SAR) studies performed around this novel kinase-inhibiting motif indicated that the left and central parts of the molecule were instrumental to maintaining potency at the enzyme. Accordingly, we investigated the JNK-inhibiting properties of a number of variants of the right-hand moiety of the molecule, which led to the identification of 2-(benzoylaminomethyl)thiophene sulfonamide benzotriazole (AS600292, compound 50a), the first potent and selective JNK inhibitor of this class which demonstrates a protective action against neuronal cell death induced by growth factor and serum deprivation.

  DOI：

  10.1021/jm031112e

文献信息

• Novel HDAC inhibitors
  申请人：Srinivas Surya Visweswara Akella Satya

  公开号：US20070088043A1

  公开（公告）日：2007-04-19

  The present invention relates to novel compounds of the general formula (I), their derivatives, analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts and compositions. The present invention more particularly provides novel HDAC inhibitors of the general formula (1). Also included is a method for treatment of cancer, psoriasis, proliferative conditions and conditions mediated by HDAC, in a mammal comprising administering an effective amount of a compound of formula (I) as described above.

  本发明涉及一般式（I）的新化合物，它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、水合物、溶剂合物、药学上可接受的盐和组合物。本发明更具体地提供了一般式（1）的新型HDAC抑制剂。还包括一种治疗癌症、牛皮癣、增生性疾病和由HDAC介导的疾病的方法，在哺乳动物中，包括向上述描述的一般式（I）的化合物中投予有效量。
• THIAZOLE COMPOUND AND USE THEREOF
  申请人：Otsuka Pharmaceutical Company, Limited

  公开号：EP1748044A1

  公开（公告）日：2007-01-31

  An object of the present invention is to provide a novel thiazole compound with specific inhibitory activity against phosphodiesterase 4. The present invention provides a compound represented by Formula (1), an optical isomer thereof, or a salt thereof: wherein R1 is a di-C1-6 alkoxyphenyl group; R2 is any one of the following groups (a) to (t): (a) a phenyl group; (b) a naphthyl group; (c) a pyridyl group; (d) a furyl group; (e) a thienyl group; (f) an isoxazolyl group; (g) a thiazolyl group; (h) a pyrrolyl group; (i) an imidazolyl group; (j) a tetrazolyl group; (k) a pyrazinyl group; (1) a thienothienyl group; (m) a benzothienyl group; (n) an indolyl group; (o) a benzimidazolyl group; (p) an indazolyl group; (q) a quinolyl group; (r) a 1,2,3,4-tetrahydroquinolyl group; (s) a quinoxalinyl group; and (t) a 1,3-benzodioxolyl group; and A is any one of the following groups (i) to (vi): (i) -CO-B- wherein B is a C1-6 alkylene group; (ii) -CO-Ba wherein Ba is a C2-6 alkenylene group; (iii) -CH(OH)-B-; (iv) -COCH(COOR3)-Bb- wherein R3 is a C1-6 alkyl group and Bb is a C1-6 alkylene group; and (v) -Bc- wherein Bc is a C2-6 alkylene group.

  本发明的目的是提供一种对磷酸二酯酶4具有特异抑制活性的新型噻唑化合物。本发明提供一种由式（1）表示的化合物，其光学异构体或盐：其中R1是二C1-6烷氧基苯基基团；R2是以下分组之一（a）至（t）中的任意一种：（a）苯基；（b）萘基；（c）吡啶基；（d）呋喃基；（e）噻吩基；（f）异氧唑基；（g）噻唑基；（h）吡咯基；（i）咪唑基；（j）四唑基；（k）吡嗪基；（l）噻吩噻吩基；（m）苯并噻吩基；（n）吲哚基；（o）苯并咪唑基；（p）吲哚基；（q）喹啉基；（r）1,2,3,4-四氢喹啉基；（s）喹啉基；和（t）1,3-苯并二氧杂环戊基；以及A是以下分组之一（i）至（vi）中的任意一种：（i）-CO-B-，其中B是C1-6烷基基团；（ii）-CO-Ba，其中Ba是C2-6烯基基团；（iii）-CH(OH)-B-；（iv）-COCH(COOR3)-Bb-，其中R3是C1-6烷基基团，Bb是C1-6烷基基团；和（v）-Bc-，其中Bc是C2-6烷基基团。
• Thiazole Compound and Use Thereof
  申请人：Takemura Isao

  公开号：US20080039511A1

  公开（公告）日：2008-02-14

  An object of the present invention is to provide a novel thiazole compound with specific inhibitory activity against phosphodiesterase 4. The present invention provides a compound represented by Formula (1), an optical isomer thereof, or a salt thereof: wherein R1 is a di-C 1-6 alkoxyphenyl group; R2 is any one of the following groups (a) to (t): (a) a phenyl group; (b) a naphthyl group; (c) a pyridyl group; (d) a furyl group; (e) a thienyl group; (f) an isoxazolyl group; (g) a thiazolyl group; (h) a pyrrolyl group; (i) an imidazolyl group; (j) a tetrazolyl group; (k) a pyrazinyl group; (l) a thienothienyl group; (m) a benzothienyl group; (n) an indolyl group; (o) a benzimidazolyl group; (p) an indazolyl group; (q) a quinolyl group; (r) a 1,2,3,4-tetrahydroquinolyl group; (s) a quinoxalinyl group; and (t) a 1,3-benzodioxolyl group; and A is any one of the following groups (i) to (vi): (i) —CO—B— wherein B is a C 1-6 alkylene group; (ii) —CO—Ba wherein Ba is a C 2-6 alkenylene group; (iii) —CH(OH)—B—; (iv) —COCH(COOR3)-Bb- wherein R3 is a C 1-6 alkyl group and Bb is a C 1-6 alkylene group; and (v) -Bc- wherein Bc is a C 2-6 alkylene group.

  本发明的目的是提供一种具有特定磷酸二酯酶4抑制活性的新型噻唑化合物。本发明提供一种由式（1）表示的化合物，其光学异构体或其盐：其中，R1是二C1-6烷氧基苯基基团；R2是以下(a)到(t)中的任意一种基团：(a)苯基；(b)萘基；(c)吡啶基；(d)呋喃基；(e)噻吩基；(f)异噁唑基；(g)噻唑基；(h)吡咯基；(i)咪唑基；(j)四唑基；(k)吡嗪基；(l)噻吩噻基；(m)苯并噻吩基；(n)吲哚基；(o)苯并咪唑基；(p)吲唑基；(q)喹啉基；(r)1,2,3,4-四氢喹啉基；(s)喹喔啉基；以及(t)1,3-苯并二氧杂环基；A是以下(i)到(vi)中的任意一种基团：(i) -CO-B-，其中B是C1-6烷基撑链基团；(ii) -CO-Ba，其中Ba是C2-6烯基撑链基团；(iii) -CH(OH)-B-；(iv) -COCH(COOR3)-Bb-，其中R3是C1-6烷基团，Bb是C1-6烷基撑链基团；以及(v) -Bc-，其中Bc是C2-6烷基撑链基团。
• NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF
  申请人：S&T Global Inc.

  公开号：EP3831841A1

  公开（公告）日：2021-06-09

  A compound of the Formula (I) is disclosed: or pharmaceutically acceptable salt thereof, wherein the symbols are as defined in the specification. Also described are a pharmaceutical composition comprising the same and a method for treating or preventing viral infections, inflammation, dry eye, central nervous disorders, cardiovascular diseases, cancer, obesity, diabetes, muscular dystrophy, lung, and liver, and kindey diseases, and hair loss using the same.

  公开了一种式 (I) 的化合物： 或其药学上可接受的盐，其中符号如说明书中所定义。还描述了包含该化合物的药物组合物，以及使用该化合物治疗或预防病毒感染、炎症、干眼症、中枢神经失调、心血管疾病、癌症、肥胖症、糖尿病、肌肉萎缩症、肺病、肝病、肾病和脱发的方法。
• HETEROCYCLIC COMPOUND
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1919907A2

  公开（公告）日：2008-05-14