2-bromo-5-propylcyclohexane-1,3-dione | 913718-16-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-5-propylcyclohexane-1,3-dione
• CAS: 913718-16-8
• 化学式: C₉H₁₃BrO₂
• 分子量: 233.105
• InChiKey: VJHQFDOHVPHQIL-UHFFFAOYSA-N

物化性质

• 沸点：
  303.0±42.0 °C(Predicted)
• 密度：
  1.388±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：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-吗啉硫代甲酰胺 、 2-bromo-5-propylcyclohexane-1,3-dione 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以20%的产率得到2-(morpholin-4-yl)-5-propyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
  参考文献：
  名称：

  4-(1,3-Thiazol-2-yl)morpholine derivatives as inhibitors of phosphoinositide 3-kinase

  摘要：

  4-(1,3-Thiazol-2-yl)morpholine derivatives have been identified as potent and selective inhibitors of phosphoinositide 3-kinase. The SAR data of selected examples are presented and the in vivo pro. ling of compound 18 is shown to demonstrate the utility of this class of compounds in xenograft models of tumor growth. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.076
• 作为产物：
  描述：

  5-丙基-1,3-环己烷二酮 在 溴 、 溶剂黄146 作用下， 以99%的产率得到2-bromo-5-propylcyclohexane-1,3-dione
  参考文献：
  名称：

  4-(1,3-Thiazol-2-yl)morpholine derivatives as inhibitors of phosphoinositide 3-kinase

  摘要：

  4-(1,3-Thiazol-2-yl)morpholine derivatives have been identified as potent and selective inhibitors of phosphoinositide 3-kinase. The SAR data of selected examples are presented and the in vivo pro. ling of compound 18 is shown to demonstrate the utility of this class of compounds in xenograft models of tumor growth. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.076

文献信息

• Fused Thiazole Derivatives as Kinase Inhibitors
  申请人：Alexander Rikki Peter

  公开号：US20080306060A1

  公开（公告）日：2008-12-11

  A series of 5,6-dihydro-1,3-benzothiazol-7(4H)-one derivatives, and analogues thereof, which are substituted in the 2-position by an optionally substituted morpholin-4-yl moiety, being selective inhibitors of PD kinase enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions.

  一系列取代在2位位置具有可选取代的morpholin-4-yl基团的5,6-二氢-1,3-苯并噻唑-7(4H)-酮衍生物及其类似物，是选择性PD激酶酶抑制剂，在医学上具有益处，例如在治疗炎症、自身免疫、心血管、神经退行性、代谢、肿瘤、疼痛或眼科疾病方面。
• Fused thiazole derivatives as kinase inhibitors
  申请人：UCB Pharma S.A.

  公开号：US07888344B2

  公开（公告）日：2011-02-15

  A series of 5,6-dihydro-1,3-benzothiazol-7(4H)-one derivatives, and analogues thereof, which are substituted in the 2-position by an optionally substituted morpholin-4-yl moiety, being selective inhibitors of PD kinase enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions.

  一系列在2-位置上被可选取代的吗啡啶-4-基团取代的5,6-二氢-1,3-苯并噻唑-7(4H)-酮衍生物及其类似物，是PD激酶酶的选择性抑制剂，在医学上具有益处，例如在炎症性，自身免疫性，心血管，神经退行性，代谢性，肿瘤，疼痛或眼科疾病的治疗中。
• FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS
  申请人：UCB Pharma, S.A.

  公开号：EP1881827B1

  公开（公告）日：2011-09-28
• US7888344B2
  申请人：——

  公开号：US7888344B2

  公开（公告）日：2011-02-15
• [EN] FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES DE THIAZOLE FUSIONNE EN TANT QU'INHIBITEURS DE LA KINASE
  申请人：UCB SA

  公开号：WO2006114606A1

  公开（公告）日：2006-11-02

  [EN] A series of 5,6-dihydro-l,3-benzothiazol-7(4H)-one derivatives, and analogues thereof, which are substituted in the 2-position by an optionally substituted morpholin-4-yl moiety, being selective inhibitors of PD kinase enzymes, are accordingly of b.enefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions.
  [FR] L'invention concerne une série de dérivés de la 5,6-dihydro-l,3-benzothiazol-7(4H)-one, et leurs analogues, substitués en position 2 par un groupe morpholin-4-yle éventuellement substitué, agissant comme des inhibiteurs sélectifs des enzymes PD kinases, et utiles en médecine, par exemple pour le traitement de maladies inflammatoires, auto-immunes, cardiovasculaires, neurodégénératrices, métaboliques, oncologiques, nociceptives ou ophtalmiques.