2-(1-甲氧基亚乙基)丙二腈 | 5515-16-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(1-甲氧基亚乙基)丙二腈
• 英文名称: 2-(1-methoxyethylidene)malononitril
• 英文别名: 2-(1-Methoxyethylidene)malononitrile；2-(1-methoxyethylidene)propanedinitrile
• CAS: 5515-16-2
• 化学式: C₆H₆N₂O
• 分子量: 122.126
• InChiKey: LBTQCPWBQJYQLI-UHFFFAOYSA-N

物化性质

• 沸点：
  110 °C(Press: 0.25 Torr)
• 密度：
  1.071±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2-(1-甲氧基亚乙基)丙二腈 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以11 g的产率得到2-amino-4-methoxythiophene-3-carbonitrile
  参考文献：
  名称：

  Transesterification of trimethyl orthoacetate: an efficient protocol for the synthesis of 4-alkoxy-2-aminothiophene-3-carbonitriles

  摘要：

  A facile one-pot method is reported for the synthesis of 4-alkoxy-2-aminothiophene-3-carbonitriles. Transesterification of trimethylorthoacetate technique allowed introducing alkoxy substituents into 2-aminothiophene ring system. Diverse alkoxy substituents could be introduced efficiently by using this methodology. Further the synthesis of some of new 4-alkylamino-2-aminothiophenes is also reported. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.090
• 作为产物：
  描述：

  bis-(cyano) methylene-11 ethano-9,10 dihydro-9,10 anthracene 生成 2-(1-甲氧基亚乙基)丙二腈
  参考文献：
  名称：

  Hakiki, Abdelhak; Ripoll, Jean-Louis; Thuillier, Andre, Bulletin de la Societe Chimique de France, 1985, # 5, p. 911 - 920

  摘要：

  DOI：

文献信息

• USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K-DELTA RELATED DISORDERS
  申请人：Incyte Corporation

  公开号：US20140249132A1

  公开（公告）日：2014-09-04

  The present application provides methods of treating PI3Kδ related disorders using compounds of Formula I: or pharmaceutically acceptable salts thereof.

  本申请提供了使用以下化合物治疗PI3Kδ相关疾病的方法： 或其药用盐的方法。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2010019637A1

  公开（公告）日：2010-02-18

  The invention is directed to pyrido[4,3-d]pyrimidin-5(6H)-one derivatives. Specifically, the invention is directed to compounds according to Formula (I) wherein R1, R2, R3, and R4 are defined below. The compounds of the invention are inhibitors of PDK1 and can be useful in the treatment of disorders characterized by constitutively activated ACG kinases such as cancer and more specifically cancers of the breast, colon, and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting PDK1 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention

  这项发明涉及吡啶并[4,3-d]嘧啶-5(6H)-酮衍生物。具体而言，该发明涉及符合以下式(I)的化合物，其中R1、R2、R3和R4如下所定义。该发明的化合物是PDK1的抑制剂，可用于治疗由于ACG激酶持续活化而表现出的疾病，如癌症，尤其是乳腺癌、结肠癌和肺癌。因此，该发明进一步涉及包含该发明化合物的药物组合物。该发明还进一步涉及使用该发明化合物或包含该发明化合物的药物组合物来抑制PDK1活性和治疗相关疾病的方法。
• BICYCLIC HETEROCYCLES AS FGFR INHIBITORS
  申请人：Incyte Corporation

  公开号：US20140315902A1

  公开（公告）日：2014-10-23

  The present invention relates to bicyclic heterocycles, and pharmaceutical compositions of the same, that are inhibitors of one or more FGFR enzymes and are useful in the treatment of FGFR-associated diseases such as cancer.

  本发明涉及双环杂环化合物及其药物组合物，这些化合物是一种或多种FGFR酶的抑制剂，并且在治疗FGFR相关疾病如癌症方面具有用途。
• Novel heterocycles
  申请人：Srinivas Akella Satya Surya Visweswara

  公开号：US20070167413A1

  公开（公告）日：2007-07-19

  The present invention relates to novel heterocyclic compounds of the general formula (I), their derivatives, analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts and compositions, metabolites and prodrugs thereof. The present invention more particularly provides novel hetereocycles of the general formula (I). Also included is a method of treatment of immunological diseases, inflammation, pain disorder, rheumatoid arthritis; osteoporosis; multiple myeloma; uveititis; acute and chronic myelogenous leukemia; ischemic heart disease; atherosclerosis; cancer; ischemic-induced cell damage; pancreatic beta cell destruction; osteoarthritis; rheumatoid spondylitis; gouty arthritis; inflammatory bowel disease; adult respiratory distress syndrome (ARDS); psoriasis; Crohn's disease; allergic rhinitis; ulcerative colitis; anaphylaxis; contact dermatitis; muscle degeneration; cachexia; asthma; bone resorption diseases; ischemia reperfusion injury; brain trauma; multiple sclerosis; sepsis; septic shock; toxic shock syndrome; fever, and myalgias due to infection in a mammal comprising administering an effective amount of a compound of formula (I) as described above.

  本发明涉及新颖的杂环化合物，其一般式为（I），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、代谢物以及前药。本发明特别提供了一般式（I）的新型杂环化合物。还包括一种治疗免疫性疾病、炎症、疼痛障碍、类风湿性关节炎、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性和慢性骨髓性白血病、缺血性心脏病、动脉粥样硬化、癌症、缺血性细胞损伤、胰岛β细胞破坏、骨关节炎、类风湿脊柱炎、痛风性关节炎、炎症性肠病、成人呼吸窘迫综合征（ARDS）、牛皮癣、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏性休克、接触性皮炎、肌肉退化、虚弱、哮喘、骨吸收性疾病、缺血再灌注损伤、脑创伤、多发性硬化、败血症、脓毒性休克、中毒性休克综合征、发热以及哺乳动物因感染引起的肌痛的方法，包括向哺乳动物施用上述一般式（I）的化合物的有效量。
• Solvent effect on product distribution in the thermolysis of dihydropyrazoles
  作者：Masashi Hamaguchi、Toshikazu Nagai

  DOI：10.1039/c39870001299

  日期：——

  Solvent dependence of products in the thermal decomposition of 4-methoxy-4,5-dihydro-3H-pyrazoles bearing two electronegative groups at C-3 was observed; nonpolar solvents gave predominantly alkenes, whereas polar solvents gave predominantly cyclopropanes.

  观察到产物在C-3上带有两个负电性基团的4-甲氧基-4,5-二氢-3 H-吡唑热分解中的产物对溶剂的依赖性。非极性溶剂主要产生烯烃，而极性溶剂主要产生环丙烷。