(5-indanyl)acetonitrile | 18775-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (5-indanyl)acetonitrile
• 英文别名: 2-(2,3-dihydro-1H-inden-5-yl)acetonitrile
• CAS: 18775-43-4
• 化学式: C₁₁H₁₁N
• mdl: MFCD19680225
• 分子量: 157.215
• InChiKey: FZSXXUAESILITC-UHFFFAOYSA-N

物化性质

• 沸点：
  155-160 °C(Press: 14 Torr)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (5-indanyl)acetonitrile 在 吡啶 、 氯化亚砜 、 盐酸羟胺 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 18.33h， 生成 4-[(2,3-dihydro-1H-inden-5yl)methyl]-3H-1,2,3,5-oxathiadiazole 2-oxide
  参考文献：
  名称：

  Antihyperglycemic activity of novel substituted 3H-1,2,3,5-oxathiadiazole 2-oxides

  摘要：

  A series of substituted 3H-1,2,3,5-oxathiadiazole-2-oxides (6) was prepared and tested for antihyperglycemic activity in the db/db mouse, a model for type 2 (non-insulin dependent) diabetes mellitus. The oxathiadiazoles 6 were synthesized by a two-step sequence: treatment of a substituted acetonitrile (4) with hydroxylamine to give the corresponding amidoxime (5) and cyclization with thionyl chloride to yield 6. In terms of potency, the 2-naphthalenylmethyl group (as in compound 3) was found to be the optimal substituent in this series. Compound 3 was approximately 5 times more potent than ciglitazone (1).

  DOI：

  10.1021/jm00085a002
• 作为产物：
  描述：

  茚满 在 aluminum (III) chloride 、 sodium hypochlorite 、 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 、 氯仿 、 水 、 二甲基亚砜 为溶剂， 反应 36.0h， 生成 (5-indanyl)acetonitrile
  参考文献：
  名称：

  WO2008/141119

  摘要：

  公开号：

文献信息

• Novel substituted 3H-1,2,3,5-oxathiadiazole 2-oxides useful as
  申请人：American Home Products Corporation

  公开号：US04895860A1

  公开（公告）日：1990-01-23

  This invention relates to novel substituted 3H-1,2,3,5-oxathiadiazole 2-oxides, to the processes for their preparation, to methods for using the compounds, and to pharmaceutical compositions thereof. The compounds have pharmaceutical properties which render them beneficial for the treatment of diabetes mellitus and associated conditions.

  本发明涉及新型的取代3H-1,2,3,5-噁硫二唑-2-氧化物，以及其制备方法、化合物的使用方法和相关的药物组合物。这些化合物具有药理特性，使它们对于治疗糖尿病及相关疾病有益。
• Indole derivatives as CFTR modulators
  申请人：Ruah Sara S. Hadida

  公开号：US20090131492A1

  公开（公告）日：2009-05-21

  Compounds of the present invention and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物，可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• [EN] MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS<br/>[FR] MODULATEURS DES TRANSPORTEURS DE LA CASSETTE DE LIAISON À L'ATP
  申请人：VERTEX PHARMA

  公开号：WO2010054138A2

  公开（公告）日：2010-05-14

  Compounds of the present invention and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette ("ABC") transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator ("CFTR"). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组成物，可作为ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• Thromboresistant materials incorporating pyrazinone protease inhibitors
  申请人：——

  公开号：US20010021713A1

  公开（公告）日：2001-09-13

  Thromboresistant materials are described which incorporate pyrazinone compounds of the Formula I: 1 wherein X is O, NR 11 or CH=N, R 3 -R 11 , R a , R b , R c , W, m, and n are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, thrombin, plasmin and factor Xa. Certain of the compounds exhibit antithrombotic activity via direct, selective inhibition of thrombin. Compositions for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation are described. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging of thrombi.

  本发明提供了一种含有Formula I的吡唑酮化合物的抗血栓材料：1其中X为O、NR11或CH= N，R3-R11、Ra、Rb、Rc、W、m和n在规范中设置，以及其水合物、溶剂化合物或药学上可接受的盐。本发明的化合物是蛋白酶的强效抑制剂，特别是胰蛋白酶样丝氨酸蛋白酶，如凝血酶、血纤维蛋白溶解酶和Xa因子。其中某些化合物通过直接、选择性地抑制凝血酶表现出抗血栓活性。本发明还描述了用于抑制血小板损失、抑制血小板聚集、抑制纤维蛋白形成、抑制血栓形成和抑制栓子形成的组合物。本发明的化合物的其他用途是作为抗凝剂嵌入或物理链接到用于血液收集、血液循环和血液储存的设备中，如导管、血液透析机、血液采集注射器和管道、血管支架等。此外，这些化合物可以被检测标记并用于体内血栓的成像。
• Modulators of ATP-Binding Cassette Transporters
  申请人：Hadida Ruah Sara S.

  公开号：US20110060024A1

  公开（公告）日：2011-03-10

  Compounds of the present invention and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物，可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜导电调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。