(+/-)-5,5-difluorocyclohexane-1,3-dicarboxylic acid

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: (+/-)-5,5-difluorocyclohexane-1,3-dicarboxylic acid
• 英文别名: 5,5-difluorocyclohexane-1,3-dicarboxylic acid；5,5-Difluorocyclohexane-1,3-dicarboxylic acid
• 化学式: C₈H₁₀F₂O₄
• 分子量: 208.162
• InChiKey: PRDJCLBJCZSINF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (+/-)-5,5-difluorocyclohexane-1,3-dicarboxylic acid 、 苯甲醇 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以76%的产率得到(+/-)-dibenzyl-5,5-difluorocyclohexane-1,3-diyldicarbamate
  参考文献：
  名称：

  [EN] INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)
  [FR] INHIBITEURS DE LA KINASE CYCLINE-DÉPENDANTE 7 (CDK7)

  摘要：

  本发明提供了式（I）的新化合物及其药学上可接受的盐、溶剂化合物、水合物、互变异构体、立体异构体、同位素标记衍生物及其组合物。还提供了涉及这些化合物或组合物用于治疗或预防增生性疾病（例如，癌症（例如，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）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生性疾病的受试者可能抑制细胞周期依赖性激酶（例如，CDK7）的异常活性，从而诱导受试者的细胞凋亡和/或抑制转录。

  公开号：

  WO2016058544A1

文献信息

• [EN] POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)<br/>[FR] INHIBITEURS POLYCYCLIQUES DE KINASE CYCLINE-DÉPENDANTE 7 (CDK7)
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2015058140A1

  公开（公告）日：2015-04-23

  The present invention provides novel compounds of Formula (I), 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 or preventing proliferative diseases (e.g., cancers (e.g., leukemia, lymphoma, melanoma, multiple myeloma, breast cancer, Ewing' s sarcoma, osteosarcoma, brain cancer, neuroblastoma, lung cancer), 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 a kinase, such as a cyclin-dependent kinase (CDK) (e.g., cyclin-dependent kinase 7 (CDK7), cyclin-dependent kinase 12 (CDK12), or cyclin-dependent kinase 13 (CDK13)), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了一种新型化合物的公式（I），以及其药用可接受的盐、溶剂合物、水合物、多晶形态、共晶体、互变异构体、立体异构体、同位素标记衍生物、前药和其组合物。还提供了涉及创新化合物或组合物的方法和试剂盒，用于治疗或预防增殖性疾病（例如，癌症（例如，白血病、淋巴瘤、黑色素瘤、多发性骨髓瘤、乳腺癌、尤因氏肉瘤、骨肉瘤、脑癌、神经母细胞瘤、肺癌）、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对象可能抑制激酶的异常活性，如细胞周期依赖性激酶（CDK）（例如，细胞周期依赖性激酶7（CDK7）、细胞周期依赖性激酶12（CDK12）或细胞周期依赖性激酶13（CDK13）），从而在对象中诱导细胞凋亡和/或抑制转录。
• POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)
  申请人：DANA-FARBER CANCER INSTITUTE, INC.

  公开号：US20160264554A1

  公开（公告）日：2016-09-15

  The present invention provides novel compounds of Formula (I), 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 or preventing proliferative diseases (e.g., cancers (e.g., leukemia, lymphoma, melanoma, multiple myeloma, breast cancer, Ewing's sarcoma, osteosarcoma, brain cancer, neuroblastoma, lung cancer), 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 a kinase, such as a cyclin-dependent kinase (CDK) (e.g., cyclin-dependent kinase 7 (CDK7), cyclin-dependent kinase 12 (CDK12), or cyclin-dependent kinase 13 (CDK13)), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了公式（I）的新型化合物，以及其药学上可接受的盐，溶剂合物，水合物，多晶形，共晶体，互变异构体，立体异构体，同位素标记衍生物，前药和其组合物。还提供了涉及本发明化合物或组合物的方法和试剂盒，用于治疗或预防主体中的增殖性疾病（例如，癌症（例如，白血病，淋巴瘤，黑色素瘤，多发性骨髓瘤，乳腺癌，尤因肉瘤，骨肉瘤，脑癌，神经母细胞瘤，肺癌），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）。使用本发明化合物或组合物治疗患有增殖性疾病的主体可能抑制激酶的异常活性，例如细胞周期依赖性激酶（CDK）（例如，细胞周期依赖性激酶7（CDK7），细胞周期依赖性激酶12（CDK12）或细胞周期依赖性激酶13（CDK13）），从而在主体中诱导细胞凋亡和/或抑制转录。
• 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。
• Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7)
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10906889B2

  公开（公告）日：2021-02-02

  The present invention provides novel compounds of Formula (I), 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 or preventing proliferative diseases (e.g., cancers (e.g., leukemia, lymphoma, melanoma, multiple myeloma, breast cancer, Ewing's sarcoma, osteosarcoma, brain cancer, neuroblastoma, lung cancer), 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 a kinase, such as a cyclin-dependent kinase (CDK) (e.g., cyclin-dependent kinase 7 (CDK7), cyclin-dependent kinase 12 (CDK12), or cyclin-dependent kinase 13 (CDK13)), 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、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，用于治疗或预防受试者的增殖性疾病（如癌症（如白血病、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、神经母细胞瘤、肺癌）、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，可抑制激酶的异常活性，如细胞周期蛋白依赖性激酶（CDK）（如细胞周期蛋白依赖性激酶7（CDK7）、细胞周期蛋白依赖性激酶12（CDK12）或细胞周期蛋白依赖性激酶13（CDK13）），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：Ciblat Stephane

  公开号：US20170327496A1

  公开（公告）日：2017-11-16

  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.