1,1',1''-[(1-乙氧基-1-丙基-3-亚基)三(氧代)]三[2-乙基己烷] | 127916-08-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,1',1''-[(1-乙氧基-1-丙基-3-亚基)三(氧代)]三[2-乙基己烷]
• 英文名称: 1-(3-methyl-5-phenylisoxazol-4-yl)ethanone
• 英文别名: 3-methyl-4-(1-oxoethyl)-5-phenylisoxazole；3-methyl-4-acetyl-5-phenylisoxazole；1-(3-Methyl-5-phenyl-isoxazol-4-yl)-ethanone；1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethanone
• CAS: 127916-08-9
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: ZANKIGGWTAOTSO-UHFFFAOYSA-N

物化性质

• 沸点：
  356.3±30.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1',1''-[(1-乙氧基-1-丙基-3-亚基)三(氧代)]三[2-乙基己烷] 以 乙酸乙酯 为溶剂， 生成 3-Dimethylamino-1-(3-methyl-5-phenyl-isoxazol-4-yl)-propenone
  参考文献：
  名称：

  Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases

  摘要：

  本发明提供了公式I的化合物：其中R1为H、CONH2、T(n)—R或T(n)—Ar2，n可以是零或一，而G、XYZ和Q如下所述。这些化合物是蛋白激酶的抑制剂，特别是JNK的抑制剂，JNK是一种参与细胞增殖、细胞死亡和对细胞外刺激反应的哺乳动物蛋白激酶。该发明还涉及生产这些抑制剂的方法。该发明还提供包含该发明中的抑制剂的药物组合物，并提供利用这些组合物在治疗和预防各种疾病中的方法。

  公开号：

  US20030149051A1
• 作为产物：
  描述：

  1-(2,2,3,3,7a-pentamethyl-6-phenyl-1,2,3,7a-tetrahydroimidazo[1,2-b]isoxazol-7-yl)ethanone 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 15.0h， 以80%的产率得到1,1',1''-[(1-乙氧基-1-丙基-3-亚基)三(氧代)]三[2-乙基己烷]
  参考文献：
  名称：

  1,2,3,7a-四氢咪唑并[1,2-b]异恶唑衍生物转化为异恶唑

  摘要：

  1,2,3,7a-四氢咪唑并[1,2-b]异恶唑衍生物与质子酸、苯甲酰氯、BF3和溴等亲电试剂反应生成异恶唑、2,2,3,3-四甲基氮丙啶和 2,3,3-三甲基丙烯-2-基胺衍生物。

  DOI：

  10.1007/s11172-007-0185-y

文献信息

• Synthesis of β-disubstituted β-amino isoxazolyl ketones by addition of ketimines with isoxazolyl methyl ketone enolates
  作者：Jason Guernon、Lawrence Marcin、Mendi Higgins、Fukang Yang、Jianliang Shi、Lawrence Snyder、Lorin A. Thompson、Yong-Jin Wu

  DOI：10.1016/j.tetlet.2014.02.053

  日期：2014.3

  A series of β-disubstituted N-sulfinyl β-amino isoxazolyl ketones has been prepared by addition of tert-butanesulfinyl ketimines with the n-BuLi-generated enolates of isoxazolyl methyl ketones.

  通过将叔丁烷亚磺酰基酮亚胺与异丁唑基甲基酮的n -BuLi生成的烯醇酸酯加成，可以制备一系列β-二取代的N-亚磺酰基β-氨基异恶唑基酮。
• Nitrogen-containing heterocyclic compound and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20090156572A1

  公开（公告）日：2009-06-18

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle optionally further having substituent(s), ring B is an aromatic ring optionally having substituent(s), ring C is a cyclic group optionally having substituent(s), R 1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group, a heterocyclic group optionally having substituent(s) or an amino group optionally having substituent(s), R 2 is an optionally halogenated C 1-6 alkyl group, m and n are each an integer of 0 to 5, m+n is an integer of 2 to 5, and is a single bond or a double bond, or a salt thereof and the like. Since the compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, gastrointestinal diseases, central nervous system diseases and the like.

  本发明涉及一种由下式表示的化合物：其中环A是含氮杂环，可选择地进一步具有取代基，环B是芳香环，可选择地具有取代基，环C是环状基团，可选择地具有取代基，R1是氢原子，一个碳氢基团，可选择地具有取代基，酰基，一个杂环基团，可选择地具有取代基或一个氨基团，可选择地具有取代基，R2是可选择卤代的C1-6烷基基团，m和n分别是0到5的整数，m+n是2到5的整数，是单键或双键，或其盐等。由于该化合物具有优越的催吐肽受体拮抗作用，可用作预防或治疗多种疾病的药物，如下尿道疾病、胃肠道疾病、中枢神经系统疾病等。
• Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases
  申请人：Green Jeremy

  公开号：US20050026967A1

  公开（公告）日：2005-02-03

  The present invention provides compounds of formula I: where R 1 is H, CONH 2 , T( n )—R, or T( n )—Ar 2 , n may be zero or one, and G, XYZ, and Q are as described below. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

  本发明提供式I的化合物：其中R1为H、CONH2、T（n）—R或T（n）—Ar2，n可以为零或一，而G、XYZ和Q如下所述。这些化合物是蛋白激酶抑制剂，特别是JNK的抑制剂，JNK是哺乳动物蛋白激酶，涉及细胞增殖、细胞死亡和对细胞外刺激的反应。本发明还涉及制备这些抑制剂的方法。本发明还提供了包含本发明抑制剂的制药组合物和利用这些组合物在治疗和预防各种疾病的方法。
• Inhibitors of c-JUN N terminal kinases (JNK) and other protein kinases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US06693108B2

  公开（公告）日：2004-02-17

  The present invention provides compounds of formula I: where R1 is H, CONH2, T(n)—R, or T(n)—Ar2, n may be zero or one, and G, XYZ, and Q are as described below. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

  本发明提供了式I的化合物：其中R1为H，CONH2，T（n）—R或T（n）—Ar2，n可以为零或一，而G，XYZ和Q如下所述。这些化合物是蛋白激酶的抑制剂，特别是JNK的抑制剂，这是一种参与细胞增殖，细胞死亡和对细胞外刺激的哺乳动物蛋白激酶。本发明还涉及制备这些抑制剂的方法。本发明还提供了包含本发明的抑制剂的制药组合物以及利用这些组合物治疗和预防各种疾病的方法。
• SPIRO-CYCLIC COMPOUND
  申请人：Kamata Makoto

  公开号：US20100160255A1

  公开（公告）日：2010-06-24

  The present invention provides a compound represented by the formula (I): wherein E is an optionally substituted cyclic group; D is a carbonyl group or a sulfonyl group; A is CH or N; ring P is an optionally further substituted 5- to 7-membered ring; ring Q is an optionally further substituted 5- to 7-membered nonaromatic ring; and ring R is an optionally further substituted and optionally condensed 5- to 7-membered nonaromatic ring, or a salt thereof. The compound of the present invention has an ACC inhibitory activity, is useful for the prophylaxis or treatment of obesity, diabetes, hypertension, hyperlipidemia, cardiac failure, diabetic complications, metabolic syndrome, sarcopenia and the like, and has superior properties in the efficacy, duration of activity, specificity, low toxicity and the like.

  本发明提供了一种由公式(I)表示的化合物：其中E是可选取代的环状基团；D是羰基基团或磺酰基团；A是CH或N；环P是可选取代的5-至7-成员环；环Q是可选取代的5-至7-成员非芳香环；环R是可选取代和可选缩合的5-至7-成员非芳香环，或其盐。本发明的化合物具有ACC抑制活性，对于预防或治疗肥胖症、糖尿病、高血压、高脂血症、心力衰竭、糖尿病并发症、代谢综合征、肌肉萎缩等疾病有用，并具有优越的疗效、活性持续时间、特异性、低毒性等特点。