1-methyl-3-(1-methylpropyl)indole

• 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: 1-methyl-3-(1-methylpropyl)indole
• 英文别名: 3-Butan-2-yl-1-methylindole
• 化学式: C₁₃H₁₇N
• 分子量: 187.285
• InChiKey: BHFNDJVDMQRADA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  o-(methylamino)phenyl sec-butyl ketone 在 盐酸 、 乙醇 、 potassium hydride 、 potassium carbonate 、 六甲基二硅氮烷 作用下， 反应 8.25h， 生成 1-methyl-3-(1-methylpropyl)indole
  参考文献：
  名称：

  通过分子内霍纳-维蒂希反应快速合成3-烷基，芳基和杂芳基吲哚

  摘要：

  通过合适的芳香族邻酰基取代的霍纳-维蒂希试剂的碱诱导的分子内环化反应，已经有效地制备了各种3-烷基-，芳基-和杂芳基-吲哚。

  DOI：

  10.1039/p19930002463

文献信息

• Agent for Eliminating Pluripotent Stem Cells
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20220202948A1

  公开（公告）日：2022-06-30

  An agent for eliminating a pluripotent stem cell, the agent comprising an antibody-drug conjugate that releases a compound represented by formula (1-1): wherein b represents an integer of 1 to 5; and Z represents a group represented by formula (Z-1) or formula (Z-2), or a salt thereof.

  一种用于消除多能干细胞的药剂，该药剂包括一种抗体-药物结合物，该结合物释放出一种由式（1-1）表示的化合物，其中b表示1至5的整数；Z表示式（Z-1）或式（Z-2）表示的基团，或其盐。
• Inhibitors of cyclin-dependent kinase 7 (CDK7)
  申请人：Syros Pharmaceuticals, Inc.

  公开号：US10308648B2

  公开（公告）日：2019-06-04

  The present invention provides novel compounds of Formula (I) and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g., leukemia, melanoma, multiple myeloma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of cyclin-dependent kinase (e.g., CDK7), and therefore induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了新颖的式(I)化合物及其药学上可接受的盐、溶液剂、水合物、同系物、立体异构体、同位素标记的衍生物及其组合物。还提供了涉及这些化合物或组合物的方法和试剂盒，用于治疗或预防受试者的增殖性疾病（如癌症（如白血病、黑色素瘤、多发性骨髓瘤）、良性肿瘤、血管生成、炎症性疾病、自身炎症性疾病和自身免疫性疾病）。使用本发明的化合物或组合物治疗患有增殖性疾病的受试者，可抑制细胞周期蛋白依赖性激酶（如CDK7）的异常活性，从而诱导细胞凋亡和/或抑制受试者体内的转录。
• Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US11306070B2

  公开（公告）日：2022-04-19

  The present invention provides novel compounds of Formulae (I′) and (II), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing proliferative diseases (e.g., cancers (e.g., leukemia, acute lymphoblastic leukemia, lymphoma, Burkitt's lymphoma, melanoma, multiple myeloma, breast cancer, Ewing's sarcoma, osteosarcoma, brain cancer, ovarian cancer, neuroblastoma, lung cancer, colorectal cancer), benign neoplasms, diseases associated with angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of a kinase, such as a cyclin-dependent kinase (CDK) (e.g., CDK12), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了式(I′)和(II)的新型化合物及其药学上可接受的盐、溶液剂、水合物、多晶型、共晶体、同分异构体、立体异构体、同位素标记的衍生物、原药及其组合物。还提供了涉及本发明化合物或组合物的方法和试剂盒，用于治疗和/或预防增殖性疾病（如癌症（如、白血病、急性淋巴细胞白血病、淋巴瘤、伯基特淋巴瘤、黑色素瘤、多发性骨髓瘤、乳腺癌、尤文氏肉瘤、骨肉瘤、脑癌、卵巢癌、神经母细胞瘤、肺癌、结直肠癌）、良性肿瘤、与血管生成相关的疾病、炎症性疾病、自身炎症性疾病和自身免疫性疾病）的方法和试剂盒。使用本发明的化合物或组合物治疗患有增殖性疾病的受试者，可抑制激酶的异常活性，如细胞周期蛋白依赖性激酶（CDK）（如CDK12），从而诱导细胞凋亡和/或抑制受试者的转录。
• INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)
  申请人：SYROS PHARMACEUTICALS, INC.

  公开号：US20170183355A1

  公开（公告）日：2017-06-29

  The present invention provides novel compounds of Formula (I) and Formula (II) and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g., leukemia, melanoma, multiple myeloma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of cyclin-dependent kinase 7 (CDK7), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.
• INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20200361906A1

  公开（公告）日：2020-11-19

  The present invention provides novel compounds of Formulae (I′) and (II), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing proliferative diseases (e.g., cancers (e.g., leukemia, acute lymphoblastic leukemia, lymphoma, Burkitt's lymphoma, melanoma, multiple myeloma, breast cancer, Ewing's sarcoma, osteosarcoma, brain cancer, ovarian cancer, neuroblastoma, lung cancer, colorectal cancer), benign neoplasms, diseases associated with angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of a kinase, such as a cyclin-dependent kinase (CDK) (e.g., CDK12), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.