2,2-dimethyl-3-oxo-valeronitrile | 37719-03-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-3-oxo-valeronitrile
• 英文别名: 2,2-Dimethyl-3-oxopentanenitrile；2,2-dimethyl-3-oxopentanenitrile
• CAS: 37719-03-2
• 化学式: C₇H₁₁NO
• 分子量: 125.17
• InChiKey: AKABYWUBFCUROU-UHFFFAOYSA-N

物化性质

• 沸点：
  174.8±13.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-3-oxo-valeronitrile 在 alkaline solution 、 双氧水 作用下， 生成 2,2-dimethyl-3-oxo-valeric acid amide
  参考文献：
  名称：

  Bouveault, Bulletin de la Societe Chimique de France, 1890, vol. <3>4, p. 646

  摘要：

  DOI：
• 作为产物：
  描述：

  丙腈 、 碘甲烷 在 乙醚 、 sodium 作用下， 生成 2,2-dimethyl-3-oxo-valeronitrile
  参考文献：
  名称：

  Hanriot; Bouveault, Bulletin de la Societe Chimique de France, 1889, vol. <3> 1, p. 172,173, 548

  摘要：

  DOI：

文献信息

• [EN] NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS COMME INHIBITEURS DE LA KINASE RÉARRANGÉE AU COURS DE LA TRANSFECTION (RET)
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016037578A1

  公开（公告）日：2016-03-17

  This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

  这项发明涉及一种新型化合物，这些化合物是重排转位过程中的抑制剂（RET）激酶，包含它们的药物组合物，它们的制备方法，以及它们在治疗中的使用，单独或结合使用，用于规范胃肠敏感性、蠕动和/或分泌以及/或腹部紊乱或疾病和/或与RET功能障碍相关的疾病或调节RET活性可能具有治疗益处的治疗，包括但不限于所有分类的肠易激综合征（IBS），包括以腹泻为主、以便秘为主或交替排便模式、功能性腹胀、功能性便秘、功能性腹泻、未特指的功能性肠道障碍、功能性腹痛综合征、慢性特发性便秘、功能性食管障碍、功能性胃十二指肠障碍、功能性肛门疼痛、炎症性肠病、非小细胞肺癌、肝细胞癌、结肠癌、髓样甲状腺癌、滤泡性甲状腺癌、间变性甲状腺癌、乳头状甲状腺癌、脑肿瘤、腹腔癌、实体肿瘤、其他肺癌、头颈癌、神经胶质瘤、神经母细胞瘤、冯·希普-林道氏综合征和肾肿瘤、乳腺癌、输卵管癌、卵巢癌、移行细胞癌、前列腺癌、食管和食管胃交界处癌症、胆道癌、腺癌，以及任何具有增加RET激酶活性的恶性肿瘤。
• [EN] KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES
  申请人：CHIESI FARMA SPA

  公开号：WO2013083606A1

  公开（公告）日：2013-06-13

  Compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein R2, W, A, Y and R1 are as defined in the specification, are p38 MAPK inhibitors, useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory tract.

  式(I)的化合物或其药学上可接受的盐：其中R2、W、A、Y和R1如规范中定义，是p38 MAPK抑制剂，在治疗呼吸道疾病等疾病中作为抗炎药物有用。
• [EN] SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF<br/>[FR] DÉRIVÉS D'URÉE SUBSTITUÉS ET UTILISATIONS PHARMACEUTIQUES DE CEUX-CI
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2016008433A1

  公开（公告）日：2016-01-21

  Provided herein are novel substituted urea derivatives, and pharmaceutical compositions thereof. Also provided herein are uses of the compounds or pharmaceutical compositions thereof for preventing, managing, treating or lessening a proliferative disease, andmodulating the activity of protein kinase.

  本文提供了新颖的取代脲衍生物及其药物组合物。本文还提供了这些化合物或药物组合物用于预防、管理、治疗或减轻增殖性疾病，并调节蛋白激酶活性的用途。
• Sur les zinciques issus des α-bromonitriles
  作者：Nicole Goasdoué、Marcel Gaudemar

  DOI：10.1016/s0022-328x(00)88901-9

  日期：1972.6

  The condensation of organozinc compounds derived from α-bromonitriles with acid anhydrides results in two different types of compounds: either β-ketonitriles or cis and trans enol esters according to the nature of the initial bromonitrile. Various factors which affect this reaction are being studied. A method of preparation for the above mentioned products is advanced.

  源自α-溴腈的有机锌化合物与酸酐的缩合产生两种不同类型的化合物：β-酮腈或顺式和反式烯醇酯，具体取决于初始溴腈的性质。正在研究影响该反应的各种因素。提出了用于上述产品的制备方法。
• Sur les organozinciques issus des α-bromonitriles
  作者：Nicole Goasdoue、Marcel Gaudemar

  DOI：10.1016/s0022-328x(00)95165-9

  日期：1974.5

  The condensation of organozinc compounds with nitriles gives either β-ketonitriles or ketenaminonitriles , according to the method used. When the starting nitrile is aromatic, and also in the case of α-bromoisobutyronitrile a nitrogen compound was observed similar to a β-lactimine nitrile.

  根据所用方法，有机锌化合物与腈的缩合可生成β-酮腈或酮丁腈。当起始腈为芳族化合物时，以及在α-溴异丁腈的情况下，观察到的氮化合物与β-内酰胺腈类似。