钯,(1,2-苯二胺-N,N')二(氰硫基<硫代氰酸基>-S)-,(SP-4-2)-(9CI) | 790205-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 钯,(1,2-苯二胺-N,N')二(氰硫基&lt硫代氰酸基&gt-S)-,(SP-4-2)-(9CI)
• 中文别名: N-甲基-N-(丙烷-2-基)哌啶-4-胺
• 英文名称: Isopropyl-methyl-piperidin-4-yl-amine
• 英文别名: N-Isopropyl-N-methylpiperidin-4-amine；N-methyl-N-propan-2-ylpiperidin-4-amine
• CAS: 790205-01-5
• 化学式: C₉H₂₀N₂
• mdl: MFCD09931512
• 分子量: 156.271
• InChiKey: GATDBLAWLPINOT-UHFFFAOYSA-N

物化性质

• 沸点：
  205.3±8.0 °C(Predicted)
• 密度：
  0.89±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  钯,(1,2-苯二胺-N,N')二(氰硫基<硫代氰酸基>-S)-,(SP-4-2)-(9CI) 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 4-{2-[4-(异丙基-甲基-氨基)-哌啶-1-基]-噻唑-4-基}-苯甲酸
  参考文献：
  名称：

  Design and Synthesis of Tri-Ring P₃ Benzamide-Containing Aminonitriles as Potent, Selective, Orally Effective Inhibitors of Cathepsin K

  摘要：

  We have prepared a series of achiral aminoacetonitriles, bearing tri-ring benzamide moieties and an aminocyclohexanecarboxylate residue at P-2. This combination of binding elements resulted in sub-250 pM, reversible, selective, and orally bioavailable cathepsin K inhibitors. Lead compounds displayed single digit nanomolar inhibition in vitro (of rabbit osteoclast-mediated degradation of bovine bone). The best compound in this series, 39n (CRA-013783/ L-006235), was orally bioavailable in rats, with a terminal half-life of over 3 h. 39n was dosed orally in ovariectomized rhesus monkeys once per day for 7 days. Collagen breakdown products were reduced by up to 76% dose-dependently. Plasma concentrations of 39n above the bone resorption IC50 after 24 h indicated a correlation between functional cellular and in vivo assays. Inhibition of collagen breakdown by cathepsin K inhibitors suggests this mechanism of action may be useful in osteoporosis and other indications involving bone resorption.

  DOI：

  10.1021/jm058198r

文献信息

• Compounds and uses thereof for decreasing activity of hormone-sensitive lipase
  申请人：——

  公开号：US20030166644A1

  公开（公告）日：2003-09-04

  Use of compounds to inhibit hormone-sensitive lipase, pharmaceutical compositions comprising the compounds, methods of treatment employing these compounds and compositions, and novel compounds. The present compounds are inhibitors of hormone-sensitive lipase and may be useful in the treatment and/or prevention of medical disorders where a decreased activity of hormone-sensitive lipase is desirable.

  使用化合物抑制激素敏感性脂肪酶，包括这些化合物的药物组合物，使用这些化合物和组合物的治疗方法，以及新化合物。目前的化合物是激素敏感性脂肪酶的抑制剂，可能在治疗和/或预防需要降低激素敏感性脂肪酶活性的医学疾病中有用。
• 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20190119263A1

  公开（公告）日：2019-04-25

  Isoquinoline compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of an isoquinoline compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease, inflammation, auto-immune diseases and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  揭示了用于治疗各种疾病和病理的异喹啉化合物。更具体地，本公开涉及使用异喹啉化合物或其类似物，治疗由Wnt途径信号激活所特征化的疾病（例如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺部疾病、炎症、自身免疫疾病和骨关节炎），以及通过Wnt途径信号介导的细胞事件的调节，以及与DYRK1A过表达相关的神经状况/疾病/疾病。
• FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF
  申请人：SHANGHAI YINGLI PHARMACEUTICAL CO., LTD

  公开号：US20160244432A1

  公开（公告）日：2016-08-25

  Disclosed are a fused heterocyclic compound, a preparation method therefor, a pharmaceutical composition, and uses thereof. The fused heterocyclic compound is shown in formula I, formula II, or formula III. The preparation method of the fused heterocyclic compound and/or the pharmaceutically acceptable salt thereof in the present invention comprises three synthesizing routes. The present invention also provides a pharmaceutical composition of the fused heterocyclic compound, the pharmaceutical composition containing one or more of the fused heterocyclic compound shown in formula I, formula II, or formula III, the pharmaceutically acceptable salt thereof, hydrates, solvent compounds, polymorphs and prodrugs thereof, and a pharmaceutically acceptable carrier. The present invention also relates to an application of the fused heterocyclic compound and/or the pharmaceutical composition in preparing kinase inhibitors and in preparing drugs for preventing and treating diseases related to kinase. The fused heterocyclic compound of the present invention has selective inhibition function on PI3Kδ, and can be used for preparing drugs for preventing and treating cell proliferation diseases such as cancers, infections, inflammations, or autoimmune diseases.

  揭示了一种融合杂环化合物，其制备方法，药物组合物及其用途。所述融合杂环化合物如公式I、公式II或公式III所示。本发明的所述融合杂环化合物和/或其药用可接受盐的制备方法包括三种合成途径。本发明还提供了一种包含融合杂环化合物的药物组合物，所述药物组合物含有公式I、公式II或公式III所示的一个或多个融合杂环化合物，其药用可接受盐、水合物、溶剂化合物、多型体和前药，以及药用可接受载体。本发明还涉及应用所述融合杂环化合物和/或药物组合物制备激酶抑制剂以及制备用于预防和治疗与激酶相关疾病的药物。本发明的融合杂环化合物对PI3Kδ具有选择性抑制功能，可用于制备用于预防和治疗细胞增殖性疾病如癌症、感染、炎症或自身免疫疾病的药物。
• Azaquinazoline Inhibitors Of Atypical Protein Kinase C
  申请人：Ignyta, Inc.

  公开号：US20150274720A1

  公开（公告）日：2015-10-01

  The present application provides a compound of formula (I) and/or a salt thereof, wherein R 1 , G, and X are as defined herein. A compound of formula (I) and/or its salts have aPKC inhibitory activity, and may be used to treat proliferative disorders. Compositions comprising a compound of Formula (I) and/or a salt thereof are also provided.

  本申请提供了一种具有化学式（I）的化合物和/或其盐，其中R1、G和X如本文所定义。化合物的化学式（I）和/或其盐具有aPKC抑制活性，并可用于治疗增生性疾病。还提供了包含化学式（I）的化合物和/或其盐的组合物。
• SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF
  申请人：Rackelmann Nils

  公开号：US20110201590A1

  公开（公告）日：2011-08-18

  The invention relates to substituted aminoindanes and analogs thereof of formula (I) and the pharmaceutical use thereof. Medicaments which comprise compounds of this type are suitable for the prevention or treatment of diverse disorders such as, for example, of respiratory disorders, cystic fibrosis disorders, acute or chronic renal disorders or bowel disorders.

  该发明涉及公式（I）的替代氨基茚和类似物及其药用。包含这类化合物的药物适用于预防或治疗各种疾病，例如呼吸系统疾病、囊性纤维化疾病、急性或慢性肾脏疾病或肠道疾病。