5-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboximidic acid

• 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
• 英文名称: 5-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboximidic acid
• 化学式: C₃₇H₃₃N₇O₈
• 分子量: 703.7
• InChiKey: UOWVMDUEMSNCAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  52
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  210
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  、 5-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboximidic acid 、 溶剂黄146 生成 7-[7-{1-[(Acetyloxy)methyl]-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboximidic acid
  参考文献：
  名称：

  CC-1065 analogs

  摘要：

  本发明提供了一些公式I和II的新合成化合物##STR1##，它们可作为化学中间体。代表公式I或II的化合物在标准实验动物测试中也已被证明具有有用的抗肿瘤活性范围。此外，公式I或II的化合物可以直接或通过已知的连接基与单克隆抗体连接，作为有选择性地将CC-1065类似物（公式I和II的化合物）递送到表达目标抗原的靶细胞，并有选择性地消除动物或人体内的这些疾病细胞的手段。此外，公式I和II的化合物可以与可结合于人类免疫病毒的gp120包膜蛋白的可溶性人类CD4或可结合于该蛋白的人类CD4蛋白片段连接，从而消除病毒感染的细胞。

  公开号：

  US05739350A1
• 作为产物：
  描述：

  2-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide 以43%的产率得到
  参考文献：
  名称：

  BOGER, DALE L.;COLEMAN, ROBERT S., J. AMER. CHEM. SOC., 110,(1988) N 14, 4796-4807

  摘要：

  DOI：

文献信息

• [EN] DUOCARMYCIN ANALOGUES<br/>[FR] ANALOGUES DES DUOCARMYCINES
  申请人：AUCKLAND UNISERVICES LTD

  公开号：WO2020157662A1

  公开（公告）日：2020-08-06

  The invention relates to 2-methylbenzoxazole compounds of formula I which are analogues of the DNA alkylating subunit of the duocarmycins. Compounds of formula I can be used in the synthesis of DNA alkylating agents and antibody-drug conjugates and related compounds. The 2-methylbenzoxaxole unit of formula I has advantageous properties in combining high cytotoxicity, low lipophilicity, and unusual aqueous stability, all of which are desirable for application as payloads in efficacious antibody-drug conjugates.

  该发明涉及式I的2-甲基苯并噁唑化合物，这些化合物是二氢卡曼霉素的DNA烷基化亚基的类似物。式I的化合物可用于合成DNA烷基化剂、抗体药物结合物和相关化合物。式I的2-甲基苯并噁唑基单元具有有利的特性，包括高细胞毒性、低脂溶性和异常的水稳定性，这些特性对于作为有效的抗体药物结合物中的有效负载是可取的。
• CC-1065 analogs having two CPI subunits
  申请人：The Upjohn Company

  公开号：US05541339A1

  公开（公告）日：1996-07-30

  This invention concerns chemical compounds of general Formula I CPI.sub.1 -R.sub.5 -T-R'.sub.5 -CPI.sub.2 I The compounds of Formula I are useful as uv light absorbers, antibacterial agents, and are particularly useful as antitumor agents. Representative compounds of Formula I have been shown to possess useful ranges of antitumor activity in standard laboratory animal tests.

  该发明涉及一般式I CPI.sub.1-R.sub.5-T-R'.sub.5-CPI.sub.2 I的化合物。公式I的化合物可用作紫外线吸收剂、抗菌剂，尤其是作为抗肿瘤剂非常有用。公式I的代表性化合物已被证明在标准实验动物测试中具有有用的抗肿瘤活性范围。
• Compounds useful in coating stents to prevent and treat stenosis and restenosis
  申请人：Wang Yuqiang

  公开号：US20070037739A1

  公开（公告）日：2007-02-15

  At least one bioactive agent is locally delivered to a location where a stent is implanted within a lumen in a patient's body. The bioactive agent includes a: DNA minor groove binder (such as CC-1065 or Duocarmycin); apocynin; RGD peptide (such as RGDfV); stilbene compound (such as resveratrol); camptothecin; des-aspartate angiotensin I; or ADF; or an analog or derivative thereof; or a combination or blend thereof with at least one other bioactive agent. The bioactive agent is generally locally delivered, such as by elution from the stent. The compounds and methods are of particular benefit for treating or preventing atherosclerosis, stenosis, restenosis, smooth muscle cell proliferation, occlusive disease, or other abnormal lumenal cellular proliferation condition.

  至少一种生物活性剂被局部送达到患者体内管腔内植入支架的位置。该生物活性剂包括：DNA小沟结合剂（如CC-1065或Duocarmycin）；apocynin；RGD肽（如RGDfV）；苯乙烯衍生物（如白藜芦醇）；喜树碱；去天冬氨酸血管紧张素I；或ADF；或其类似物或衍生物；或与至少另一种生物活性剂的组合或混合物。生物活性剂通常是局部释放的，例如通过支架的溶出。这些化合物和方法对于治疗或预防动脉粥样硬化、狭窄、再狭窄、平滑肌细胞增殖、闭塞性疾病或其他异常管腔细胞增殖病症具有特殊的益处。
• Anti-CD39 antibodies and uses thereof
  申请人：Xencor, Inc.

  公开号：US10556959B2

  公开（公告）日：2020-02-11

  The present disclosure relates generally to anti-CD39 antibodies, including antibody-drug conjugates comprising the antibodies, and methods of their use.

  本公开总体上涉及抗 CD39 抗体，包括包含该抗体的抗体-药物共轭物及其使用方法。
• ANTI-CD39 ANTIBODIES AND USES THEREOF
  申请人：IGENICA BIOTHERAPEUTICS, INC.

  公开号：US20170335007A1

  公开（公告）日：2017-11-23

  The present disclosure relates generally to anti-CD39 antibodies, including antibody-drug conjugates comprising the antibodies, and methods of their use.