(9R-(9alpha,10beta,11beta,13alpha))-11-(二甲基氨基)-2,3,10,11,12,13-六氢-10-甲氧基-9-甲基-9,13-环氧-1H,9H-二吲哚并(1,2,3-gh:3',2',1'-lm)吡咯并(3,4-j)(1,7)苯并二氮杂九环-1-酮 | 129623-30-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: (9R-(9alpha,10beta,11beta,13alpha))-11-(二甲基氨基)-2,3,10,11,12,13-六氢-10-甲氧基-9-甲基-9,13-环氧-1H,9H-二吲哚并(1,2,3-gh:3',2',1'-lm)吡咯并(3,4-j)(1,7)苯并二氮杂九环-1-酮
• 英文名称: N,N-Dimethylstaurosporine
• 英文别名: (2S,3R,4R,6R)-4-(dimethylamino)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
• CAS: 129623-30-9
• 化学式: C₂₉H₂₈N₄O₃
• 分子量: 480.566
• InChiKey: NJFTXXMZGIINOF-QNGCTEGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  36
• 可旋转键数：
  2
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  60.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (9R-(9alpha,10beta,11beta,13alpha))-11-(二甲基氨基)-2,3,10,11,12,13-六氢-10-甲氧基-9-甲基-9,13-环氧-1H,9H-二吲哚并(1,2,3-gh:3',2',1'-lm)吡咯并(3,4-j)(1,7)苯并二氮杂九环-1-酮 在 四氧化锇 、 N-甲基吗啉氧化物 、 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 160.0 ℃ 、133.32 Pa 条件下， 生成 4'-去甲基氨基-4',5'-二羟基十字孢碱
  参考文献：
  名称：

  Synthesis and Antiangiogenic Activity of Staurosporine Derivatives.

  摘要：

  DOI：

  10.7164/antibiotics.53.426
• 作为产物：
  描述：

  聚合甲醛 、 staurosporine 在 sodium cyanoborohydride 作用下， 以100%的产率得到(9R-(9alpha,10beta,11beta,13alpha))-11-(二甲基氨基)-2,3,10,11,12,13-六氢-10-甲氧基-9-甲基-9,13-环氧-1H,9H-二吲哚并(1,2,3-gh:3',2',1'-lm)吡咯并(3,4-j)(1,7)苯并二氮杂九环-1-酮
  参考文献：
  名称：

  Synthesis and Antiangiogenic Activity of Staurosporine Derivatives.

  摘要：

  DOI：

  10.7164/antibiotics.53.426

文献信息

• ANTI-CANCER PHOSPHONATE ANALOGS
  申请人：Boojamra Constantine G.

  公开号：US20100022467A1

  公开（公告）日：2010-01-28

  The invention is related to phosphorus substituted anti-cancer compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及磷取代的抗癌化合物、含有这些化合物的组合物以及包括给予这些化合物的治疗方法，还涉及用于制备这些化合物的过程和中间体。
• CONJUGATED SMALL MOLECULES
  申请人：Grotzfeld Robert M.

  公开号：US20100048890A1

  公开（公告）日：2010-02-25

  Provided herein are linker compounds and conjugates that include the linker compounds. In one embodiment, the linker compounds comprise 2 or 3 residues of 6-aminohexanoic acid and optionally 7-10 residues of polyethyleneglycol (PEG). The linker compounds are useful in forming conjugates with one or more components useful in biopharmaceutical or bioanalytical applications. In particular, the biopharmaceutically useful compounds are kinase inhibitors. The conjugates described herein have utility in a variety of diagnostic, separation, and therapeutic applications.

  本文提供了链接剂化合物和包括该链接剂化合物的共轭物。在一种实施例中，该链接剂化合物包括2或3个6-氨基己酸残基和可选的7-10个聚乙二醇（PEG）残基。该链接剂化合物有用于与在生物制药或生物分析应用中有用的一个或多个组分形成共轭物。特别是，生物制药上有用的化合物是激酶抑制剂。本文所描述的共轭物在各种诊断、分离和治疗应用中具有实用性。
• PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY
  申请人：Smaill Jeffrey Bruce

  公开号：US20120077811A1

  公开（公告）日：2012-03-29

  The invention provides novel prodrug compounds comprising a kinase inhibitor and a reductively-activated fragmenting aromatic nitroheterocycle or aromatic nitrocarbocycle trigger, where the compound carries a positive charge. In preferred embodiments, the compounds are of Formula I: where: X is any negatively charged counterion; R 1 is a group of the formula —(CH 2 ) n Tr, where Tr is an aromatic nitroheterocycle or aromatic nitrocarbocycle and —(CH 2 ) n Tr acts as a reductively-activated fragmenting trigger; and n is an integer from 0 to 6; R 2 , R 3 and R 4 may each independently be selected from aliphatic or aromatic groups of a tertiary amine kinase inhibitor (R 2 )(R 3 )(R 4 )N, or two of R 2 , R 3 , and R 4 may form an aliphatic or aromatic heterocyclic amine ring of a kinase inhibitor, or one of R 2 , R 3 and R 4 may be absent and two of R 2 , R 3 and R 4 form an aromatic heterocyclic amine ring of a kinase inhibitor. The compounds of the invention are useful in treating proliferative diseases such as cancer.

  本发明提供了新型的前药化合物，包括一种激酶抑制剂和一种还原活化的破裂芳香族硝基杂环或芳香族硝基碳杂环触发剂，其中该化合物带有正电荷。在优选实施例中，该化合物为式I：其中：X是任何带负电的反离子；R1是公式—(CH2)nTr的基团，其中Tr是芳香族硝基杂环或芳香族硝基碳杂环，—(CH2)nTr作为还原活化的破裂触发器；n是0到6的整数；R2、R3和R4可以各自独立地选择来自三级胺激酶抑制剂的脂肪族或芳香族基团(R2)(R3)(R4)N，或者R2、R3和R4中的两个可以形成激酶抑制剂的脂肪族或芳香族杂环胺环，或者R2、R3和R4中的一个可以缺失，R2、R3和R4中的两个可以形成激酶抑制剂的芳香族杂环胺环。该发明的化合物可用于治疗增殖性疾病，如癌症。
• KINASE INHIBITORY PHOSPHONATE ANALOGS
  申请人：Cannizzaro Carina

  公开号：US20090181930A1

  公开（公告）日：2009-07-16

  The invention is related to phosphorus substituted kinase inhibitory compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  该发明涉及磷取代的激酶抑制剂化合物，含有这种化合物的组合物，包括给予这种化合物的治疗方法，以及用于制备这种化合物的有用过程和中间体。
• Kinase Inhibitor Phosphonate Conjugates
  申请人：Watkins J. William

  公开号：US20070281907A1

  公开（公告）日：2007-12-06

  The invention is related to phosphorus substituted kinase inhibitory conjugates, compositions containing such conjugates, and therapeutic methods that include the administration of such conjugates, as well as to processes and intermediates useful for preparing such conjugates.