1-{3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-isoxazol-5-yl}-1-phenylethanol | 1379669-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-{3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-isoxazol-5-yl}-1-phenylethanol
• 英文别名: 1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazol-5-yl]-1-phenylethanol
• CAS: 1379669-42-7
• 化学式: C₂₂H₁₉N₅O₂
• 分子量: 385.425
• InChiKey: AYOSKEBRXCNAKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tert-butyl 3-(4-methoxymethoxy-4-phenylpent-2-ynoyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate 在 盐酸羟胺 、 三乙胺 、 盐酸 作用下， 以 乙醇 、 甲醇 为溶剂， 反应 120.5h， 以176 mg的产率得到1-{3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-isoxazol-5-yl}-1-phenylethanol
  参考文献：
  名称：

  3-HETARYL-SUBSTITUTED PYRROLO[2,3 B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS

  摘要：

  式I中Q、R1、R2、R3和R4的化合物具有权利要求1中指示的含义，它们是PDK1抑制剂，可用于治疗肿瘤。

  公开号：

  US20130245355A1

文献信息

• 3-HETARYL-SUBSTITUIERTE PYRROLO[2,3-B]PYRIDIN-DERIVATIVE ALS PDK1 - INHIBITOREN
  申请人：Merck Patent GmbH

  公开号：EP2646438A1

  公开（公告）日：2013-10-09
• COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS
  申请人：BROWN Dennis M.

  公开号：US20160067241A1

  公开（公告）日：2016-03-10

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to naphthalimides such as amonafide or analogs, derivatives, or prodrugs thereof.
• [DE] 3-HETARYL-SUBSTITUIERTE PYRROLO[2,3-B]PYRIDIN-DERIVATIVE ALS PDK1 - INHIBITOREN<br/>[EN] 3-HETARYL-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLO[2,3-B]PYRIDINE 3-HÉTARYL-SUBSTITUÉS UTILISÉS COMME INHIBITEURS DE PDK1
  申请人：MERCK PATENT GMBH

  公开号：WO2012072200A1

  公开（公告）日：2012-06-07

  Verbindungen der Formel I worin Q, R1, R2, R3 und R4 die Anspruch 1 angegebenen Bedeutungen haben, sind PDK1 - Inhibitoren und können zur Behandlung von Tumoren eingesetzt werden.
• [EN] COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS<br/>[FR] COMPOSITIONS ET PROCÉDÉS PERMETTANT D'AMÉLIORER LE BÉNÉFICE THÉRAPEUTIQUE DES COMPOSÉS CHIMIQUES ADMINISTRÉS DE MANIÈRE SUBOPTIMALE COMPRENANT DES NAPHTALIMIDES SUBSTITUÉS TELS QUE L'AMONAFIDE POUR LE TRAITEMENT DES MALADIES IMMUNOLOGIQUES, MÉTABOLIQUES, INFECTIEUSES ET INFECTIEUSES OU HYPERPROLIFÉRATIVES ET NÉOPLASTIQUES.
  申请人：BROWN DENNIS M

  公开号：WO2014179528A2

  公开（公告）日：2014-11-06

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to naphthalimides such as amonafide or analogs, derivatives, or prodrugs thereof.