α-(3-methoxyphenyl)-4-morpholineacetonitrile | 123567-57-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: α-(3-methoxyphenyl)-4-morpholineacetonitrile
• 英文别名: 2-(3-methoxyphenyl)-2-(morpholino)acetonitrile；(3-methoxyphenyl)(morpholin-4-yl)acetonitrile；2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile；2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile
• CAS: 123567-57-7
• 化学式: C₁₃H₁₆N₂O₂
• mdl: MFCD00172615
• 分子量: 232.282
• InChiKey: FGYIFPNWPBUVLI-UHFFFAOYSA-N

物化性质

• 熔点：
  44.5-45.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  347.8±42.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  α-(3-methoxyphenyl)-4-morpholineacetonitrile 生成 [2-(3-methoxyphenyl)-2-morpholin-4-ylethenylidene]azanide
  参考文献：
  名称：

  BORDWELL, F. G.;BAUSCH, MARK J.;CHENG, JIN-PEI;CRIPE, THONAS H.;LYNCH, TS+, J. ORG. CHEM., 55,(1990) N, C. 58-63

  摘要：

  DOI：
• 作为产物：
  描述：

  [2-(3-methoxyphenyl)-2-morpholin-4-ylethenylidene]azanide 生成 α-(3-methoxyphenyl)-4-morpholineacetonitrile
  参考文献：
  名称：

  BORDWELL, F. G.;BAUSCH, MARK J.;CHENG, JIN-PEI;CRIPE, THONAS H.;LYNCH, TS+, J. ORG. CHEM., 55,(1990) N, C. 58-63

  摘要：

  DOI：

文献信息

• [EN] THIENO-PYRIDINONE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] UTILISATION DE DERIVES DE THIENO-PYRIDONONE COMME INHIBITEURS DE KINASES
  申请人：CELLTECH R&D LTD

  公开号：WO2005042540A1

  公开（公告）日：2005-05-12

  A series of thieno[2,3-b]pyridin-6(7H)-one derivatives, substituted in the 3-position by an arylcarbonyl or heteroarylcarbonyl moiety, being inhibitors of p38 MAP kinase, are accordingly of use in medicine, for example in the treatment and/or prevention of immune or inflammatory disorders.

  一系列在3位被芳基甲酰基或杂芳基甲酰基取代的噻吩[2,3-b]吡啶-6(7H)-酮衍生物，作为p38 MAP激酶的抑制剂，因此在医药中具有用途，例如在治疗和/或预防免疫或炎症性疾病中的应用。
• Thieno-pyridinone derivatives as kinase inhibitors
  申请人：Alexander Peter Rikki

  公开号：US20070078131A1

  公开（公告）日：2007-04-05

  A series of thieno[2,3-b]pyridin-6(7H)-one derivatives, substituted in the 3-position by an arylcarbonyl or heteroaryl-carbonyl moiety, being inhibitors of p38 MAP kinase, are accordingly of use in medicine, for example in the treatment and/or prevention of immune or inflammatory disorders.

  一系列在3-位置被芳基羰基或杂环芳基羰基基团取代的噻吩[2,3-b]吡啶-6(7H)-酮衍生物是p38 MAP激酶抑制剂，因此可用于医学上，例如用于治疗和/或预防免疫或炎症性疾病。
• 1,3-dihydro-2H-imidazo-[4,5-.beta.]quinolin-2-one derivatives and
  申请人：Janssen Pharmaceutica N.V.

  公开号：US05516908A1

  公开（公告）日：1996-05-14

  The present invention relates to novel 1,3-dihydro-2H-imidazo[4,5-b]quinolin-2-one derivatives of formula ##STR1## wherein R is hydrogen, C.sub.1-6 alkyl, C.sub.3-6 cycloalkyl, phenyl optionally substituted with from 1 to 3 substituents each independently selected from halo, hydroxy, C.sub.1-6 alkyloxy, C.sub.5-6 cycloalkyloxy, C.sub.1-6 alkyl or trifiuoromethyl; pyridinyl; thienyl optionally substituted with halo or C.sub.1-6 alkyl; and >C.dbd.X is a radical of formula >C.dbd.O (a), >C.dbd.N--O--R.sup.1 (b), or >C.dbd.CH--R.sup.2 (c); the pharmaceutically acceptable addition salts and stereochemically isomeric forms thereof, said compounds being potent inhibitors of both phosphodiesterase III and IV, which are useful in the treatment of warm-blooded animals suffering from allergic disorders, atopic diseases and related afflictions. Intermediates in the preparation thereof. Pharmaceutical compositions containing said compounds as an active ingredient. Methods of preparing said compounds and pharmaceutical compositions.

  本发明涉及一种新型的1,3-二氢-2H-咪唑[4,5-b]喹啉-2-酮衍生物，其化学式为##STR1##其中R为氢、C.sub.1-6烷基、C.sub.3-6环烷基、苯基，该苯基可以选自卤素、羟基、C.sub.1-6烷氧基、C.sub.5-6环烷氧基、C.sub.1-6烷基或三氟甲基的1-3个取代基；吡啶基；噻吩基，该噻吩基可以选自卤素或C.sub.1-6烷基；以及>C.dbd.X是化学式>C.dbd.O(a)、>C.dbd.N--O--R.sup.1(b)或>C.dbd.CH--R.sup.2(c)的基团；其药学上可接受的加成盐和立体化学异构体，该化合物是磷酸二酯酶III和IV的有效抑制剂，可用于治疗患有过敏性疾病、特应性疾病及相关疾病的温血动物。该制备的中间体。含有该化合物作为活性成分的药物组合物。制备该化合物和药物组合物的方法。
• 1,3-Dihydro-2H-imidazo[4,5-B]quinolin-2-one derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US05521187A1

  公开（公告）日：1996-05-28

  Novel 1,3-dihydro-2H-imidazo[4,5-b]quinolin-2-one derivatives of formula ##STR1## wherein R is hydrogen, C.sub.1-6 alkyl, C.sub.3-6 cycloalkyl, phenyl optionally substituted with from 1 to 3 substituents each independently selected from halo, hydroxy, C.sub.1-6 alkyloxy, C.sub.5-6 cycloalkyloxy, C.sub.1-6 alkyl or trifluoromethyl; pyridinyl; thienyl optionally substituted with halo or C.sub.1-6 alkyl; and >C.dbd.X is a radical of formula >C.dbd.O (a), >C.dbd.N--O--R.sup.1 (b), or >C.dbd.CH--R.sup.2 (c); the pharmaceutically acceptable addition salts and stereochemically isomeric forms thereof, said compounds being potent inhibitors of both phosphodiesterase III and IV, which are useful in the treatment of allergic disorders, atopic diseases and related afflictions. Intermediates in the preparation thereof. Pharmaceutical compositions containing said compounds as an active ingredient. Methods of preparing said compounds and pharmaceutical compositions.

  化合物的式子为：##STR1## 其中R为氢，C.sub.1-6烷基，C.sub.3-6环烷基，苯基，可以选用1至3个取代基，每个取代基都是独立选择的，可以是卤素，羟基，C.sub.1-6烷氧基，C.sub.5-6环烷氧基，C.sub.1-6烷基或三氟甲基；吡啶基；噻吩基，可以选用卤素或C.sub.1-6烷基取代；>C.dbd.X是式子>C.dbd.O（a），>C.dbd.N--O--R.sup.1（b），或>C.dbd.CH--R.sup.2（c）的基团；这些化合物是磷酸二酯酶III和IV的有效抑制剂，可用于过敏性疾病，特应性疾病和相关疾患的治疗。本发明还提供了制备这些化合物的中间体，含有这些化合物作为活性成分的制药组合物，以及制备这些化合物和制药组合物的方法。
• 1,3-Dihydro-2H-imidazo[4,5-b]-quinolin-2-one derivatives as phosphodiesterase inhibitors
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0541153A1

  公开（公告）日：1993-05-12

  Novel 1,3 - dihydro - 2H - imidazo[4,5 - b]quinolin - 2 - one derivatives of formula wherein R is hydrogen, C1-6 alkyl, C3-6cycloalkyl, phenyl optionally substituted with from 1 to 3 substituents each independently selected from halo, hydroxy, C1-6alkyloxy, C5-6cycloalkyloxy, C1-6alkyl or trifluoromethyl; pyridinyl; thienyl optionally substituted with halo or C1-6alkyl; and  C=X is a radical of formula or the pharmaceutically acceptable addition salts and stereochemically isomeric forms thereof, said compounds being potent inhibitors of both phosphodiesterase III and IV, which are useful in the treatment of allergic disorders, atopic diseases and related afflictions. Intermediates in the preparation thereof. Pharmaceutical compositions containing said compounds as an active ingredient. Methods of preparing said compounds and pharmaceutical compositions.

  式中的新型 1,3 - 二氢 - 2H -咪唑并[4,5 - b]喹啉 - 2 - 一衍生物 其中 R 是氢、C1-6 烷基、C3-6 环烷基、任选被 1 至 3 个各自独立选自卤代、羟基、C1-6 烷氧基、C5-6 环烷氧基、C1-6 烷基或三氟甲基的取代基取代的苯基；吡啶基；任选被卤代或 C1-6 烷基取代的噻吩基；以及  C=X 是式中的一个自由基 或 药学上可接受的加成盐及其立体异构体形式，所述化合物是磷酸二酯酶 III 和 IV 的强效抑制剂，可用于治疗过敏性疾病、特应性疾病和相关疾病。其制备过程中的中间体。含有上述化合物作为活性成分的药物组合物。制备所述化合物和药物组合物的方法。