ethyl (1E)-N-cyanopropanimidoate | 942922-51-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: ethyl (1E)-N-cyanopropanimidoate
• 英文别名: ethyl N-cyanopropanimidoate
• CAS: 942922-51-2
• 化学式: C₆H₁₀N₂O
• 分子量: 126.158
• InChiKey: DGCOOOSEJIVIEI-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  45.38
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl (1E)-N-cyanopropanimidoate 生成 3-氨基-5-乙基-1,2,4-噻唑
  参考文献：
  名称：

  WADE, JAMES J.

  摘要：

  DOI：
• 作为产物：
  描述：

  氰胺 、 ethyl propanimidate hydrochloride 在 dipotassium hydrogenphosphate 作用下， 以 水 为溶剂， 以71.9%的产率得到ethyl (1E)-N-cyanopropanimidoate
  参考文献：
  名称：

  WO2008/130314

  摘要：

  公开号：

文献信息

• Novel Compounds For The Treatment Of GI Disorders 682
  申请人：Bauer Udo

  公开号：US20080262064A1

  公开（公告）日：2008-10-23

  The present invention relates to novel imidazole compounds having a positive allosteric GABA B receptor (CUR) modulator effect, methods for the preparation of said compounds and to their use, optionally in combination with a GABA B agonist, for the inhibition of transient lower esophageal sphincter relaxations, for the treatment of gastroesophageal reflux disease, as well as for the treatment of functional gastrointestinal disorders and irritable bowel syndrome (IBS).

  本发明涉及具有正向别构GABAB受体（CUR）调节剂作用的新型咪唑化合物，以及所述化合物的制备方法及其使用，可选地与GABAB激动剂结合，用于抑制瞬时下食管括约肌松弛，用于治疗胃食管反流病，以及用于治疗功能性胃肠疾病和肠易激综合征（IBS）。
• Novel Compounds 737
  申请人：Cheng Leifeng

  公开号：US20090023704A1

  公开（公告）日：2009-01-22

  The present invention relates to novel xanthine compounds of the general formula (I) wherein R 1 , R 2 , R 3 and R 4 are as defined, having a positive allosteric GABA B receptor (GBR) modulator effect, methods for the preparation of said compounds and to their use, optionally in combination with a GABA B agonist, for the inhibition of transient lower esophageal sphincter relaxations, for the treatment of gastroesophageal reflux disease, as well as for the treatment of functional gastrointestinal disorders and irritable bowel syndrome (IBS).

  本发明涉及一种新型黄嘌呤化合物，其通式为（I），其中R1，R2，R3和R4如定义所述，具有正向变构GABAB受体（GBR）调节剂效应，以及制备所述化合物的方法和它们的用途，可选与GABAB激动剂结合，用于抑制短暂性下食管括约肌松弛，治疗胃食管反流病，以及用于治疗功能性胃肠疾病和肠易激综合征（IBS）。
• Imidazoles as Gaba- B Receptor Modulators
  申请人：Bauer Udo

  公开号：US20080312305A1

  公开（公告）日：2008-12-18

  The present invention relates to novel imidazole derivatives having a positive allosteric GABA B receptor (GBR) modulator effect, methods for the preparation of said compounds and to their use, optionally in combination with a GABA B agonist, for the inhibition of transient lower esophageal sphincter relaxations, for the treatment of gastroesophageal reflux disease, as well as for the treatment of functional gastrointestinal disorders and irritable bowel syndrome (IBS). The compounds are represented by the general formula (I) wherein R 1 , R 2 , R 3 and R 4 are as defined in the description. For example, R 1 may be alkyl or arylalkyl, R 2 may be alkyl, R 3 may be alkoxy and R 4 may be a substituent containing an aryl group.

  本发明涉及一种新型咪唑衍生物，具有正向变构GABAB受体（GBR）调节剂作用，制备该化合物的方法以及它们的使用，可选与GABAB激动剂联合使用，用于抑制短暂性下食管括约肌松弛，治疗胃食管反流病，以及用于治疗功能性胃肠疾病和肠易激综合征（IBS）。该化合物由通式（I）表示，其中R1、R2、R3和R4如描述中所定义。例如，R1可以是烷基或芳基烷基，R2可以是烷基，R3可以是烷氧基，R4可以是含芳基的取代基。
• Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0030092A1

  公开（公告）日：1981-06-10

  The invention relates to a guanidine of the formula:- in which R1 and R2 are H, Ci-io alkyl, C3-8 cycloalkyl or cycloalkylalkyl in which the alkyl part is C1-6 and the cycloalkyl part is C3-8, each of the alkyl, cycloalkyl and cycloalkylal- kyls being optionally substituted by one or more halogens selected from F, Cl and Br, provided that at least one of R' and R' is a halogen substituted alkyl, cycloalkyl or cycloalkyl-alkyl and provided that there is no halogen substituent on the carbon directly attached to the nitrogen; ring X is phenyl carrying 1 or 2 optional substitutents or a 5- or 6-membered heterocyclic aromatic ring containing 1, 2 or 3 hetero atoms selected from 0, N and S, which heterocyclic ring may, carry a single optional substituent selected from F, Cl, Br, I, C1-6 alkyl, C1-6 alkoxy, C1-6 alkylthio, trifluoromethyl, hydroxy and amino; Y is 0, S, a direct bond, methylene, vinylene, SO or NR4 in which R4 is H or C1-6 alkyl; m is 0 to 4 and n is 1 to 5, provided that when Y is 0, SO or NR4, n is 2 to 5; R3 has various significances; and the pharmaceutically-acceptable acid-addition salts thereof. Manufacturing processes and pharmaceutical compositions are also described.

  本发明涉及一种胍，其式如下：- 其中 R1 和 R2 为 H、Ci-io 烷基、C3-8 环烷基或环烷基(其中烷基部分为 C1-6，环烷基部分为 C3-8)，每个烷基、环烷基和环烷基可任选被选自 F、Cl 和 Br 的一种或多种卤素取代，条件是 R' 和 R' 中至少有一个是被卤素取代的烷基、环烷基或环烷基烷基，且与氮直接相连的碳上没有卤素取代基； 环 X 是带有 1 或 2 个任选取代基的苯基，或含有 1、2 或 3 个选自 0、N 和 S 的杂原子的 5 或 6 元杂环芳香环，该杂环可带有 1 个选自 F、Cl、Br、I、C1-6 烷基、C1-6 烷氧基、C1-6 烷硫基、三氟甲基、羟基和氨基的任选取代基； Y为0、S、直接键、亚甲基、亚乙烯基、SO或NR4，其中R4为H或C1-6烷基；m为0至4，n为1至5，但当Y为0、SO或NR4时，n为2至5；R3具有各种意义；及其药学上可接受的酸加成盐。 此外，还描述了制造工艺和药物组合物。
• Cyanoalkanimidamido compounds
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0199465A2

  公开（公告）日：1986-10-29

  Compounds of the formula (I): and pharmaceutically acceptable salts thereof are described, wherein R' is hydrogen or methyl and R2 is C2-4 alkyl. These compounds have inotropic, vasodilator, bronchodilating and platelet aggregation inhibiting properties. Pharmaceutical compositions are described as are methods of use. Intermediates and processes for the preparation of the compounds of the formula (1) are described.

  描述了式 (I)： 及其药学上可接受的盐类，其中 R' 为氢或甲基，R2 为 C2-4 烷基。 这些化合物具有肌力、血管扩张、支气管扩张和血小板聚集抑制特性。此外，还介绍了药物组合物以及使用方法。还介绍了制备式（1）化合物的中间体和工艺。