2,5-二甲基-4-乙基吡咯-3-羧酸甲酯 | 27093-38-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 2,5-二甲基-4-乙基吡咯-3-羧酸甲酯
• 英文名称: methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
• 英文别名: 4-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester
• CAS: 27093-38-5
• 化学式: C₁₀H₁₅NO₂
• mdl: MFCD00221074
• 分子量: 181.235
• InChiKey: YPZRQKYFYFPRRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  2,3-戊二酮 、 (R)-3-氨基丁酸甲酯 在 transaminase 、 磷酸吡哆醛 作用下， 以 二甲基亚砜 为溶剂， 反应 72.0h， 以19%的产率得到2,5-二甲基-4-乙基吡咯-3-羧酸甲酯
  参考文献：
  名称：

  Transaminase-Mediated Amine Borrowing via Shuttle Biocatalysis

  摘要：

  DOI：

  10.1021/acs.orglett.1c03320

文献信息

• [EN] EZH2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'EZH2 ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2016073956A1

  公开（公告）日：2016-05-12

  The present disclosure provides compounds of any one of Formulae (I) and (II). The compounds described herein are inhibitors of histone methyltransferases (e.g., enhancer of zeste homolog 1 (EZH1) and enhancer of zeste homolog 2 (EZH2)) and are useful in treating and/or preventing a broad range of diseases (e.g., proliferative diseases). Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including or using a compound described herein. Further provided in the present disclosure are methods of identifying EZH1and/or EZH2 inhibitors.

  本公开提供了任一式（I）和（II）中的化合物。本文描述的化合物是组蛋白甲基转移酶抑制剂（例如增强子齿同源蛋白1（EZH1）和增强子齿同源蛋白2（EZH2）），可用于治疗和/或预防广泛范围的疾病（例如增生性疾病）。本公开还提供了包括或使用本文描述的化合物的药物组合物、试剂盒、方法和用途。本公开还提供了识别EZH1和/或EZH2抑制剂的方法。
• [EN] USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD)<br/>[FR] UTILISATION DE COMPOSITIONS MODULANT LA STRUCTURE DE LA CHROMATINE CONTRE LA MALADIE DU GREFFON CONTRE L'HÔTE (GVHD)
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2016073903A1

  公开（公告）日：2016-05-12

  In some aspects, the instant disclosure relates to methods of treating chronic graft versus host disease (cGVHD). In some embodiments, the method comprises administering to a subject in need thereof a EZH2 inhibitor, a Bcl6 inhibitor and/or BRD4 inhibitor. The present disclosure is based, at least in part, on the discovery that enhancer of zeste homolog 2 (EZH2) inhibitors, B-cell lymphoma 6 protein (Bcl6) inhibitors and/or bromodomain-containing protein 4 (BRD4) inhibitors can be used to treat chronic graft versus host disease (cGVHD).

  在某些方面，瞬时披露涉及治疗慢性移植物抗宿主病（cGVHD）的方法。在某些实施例中，该方法包括向需要该方法的受试者施用EZH2抑制剂、Bcl6抑制剂和/或BRD4抑制剂。本公开至少部分地基于发现，增强子of zeste同源物2（EZH2）抑制剂、B细胞淋巴瘤6蛋白（Bcl6）抑制剂和/或含有bromodomain的蛋白4（BRD4）抑制剂可用于治疗慢性移植物抗宿主病（cGVHD）。
• Combination therapy of transcription inhibitors and kinase inhibitors
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10702527B2

  公开（公告）日：2020-07-07

  The present disclosure provides combination therapy of a transcription inhibitor and a kinase inhibitor. The combination of the transcription inhibitor and the kinase inhibitor may be useful in treating and/or preventing in a subject a proliferative disease, such as proliferative a disease that is resistant to the transcription inhibitor alone or the kinase inhibitor alone. In certain embodiments, the proliferative disease is a cancer. The combination of the transcription inhibitor and the kinase inhibitor is expected to be synergistic.

  本公开提供了转录抑制剂和激酶抑制剂的组合疗法。转录抑制剂和激酶抑制剂的组合可用于治疗和/或预防受试者的增殖性疾病，如对单独转录抑制剂或单独激酶抑制剂耐药的增殖性疾病。在某些实施方案中，增殖性疾病是癌症。转录抑制剂和激酶抑制剂的组合可望产生协同作用。
• COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20180169097A1

  公开（公告）日：2018-06-21

  The present disclosure provides combination therapy of a transcription inhibitor and a kinase inhibitor. The combination of the transcription inhibitor and the kinase inhibitor may be useful in treating and/or preventing in a subject a proliferative disease, such as proliferative a disease that is resistant to the transcription inhibitor alone or the kinase inhibitor alone. In certain embodiments, the proliferative disease is a cancer. The combination of the transcription inhibitor and the kinase inhibitor is expected to be synergistic.
• [EN] DIAZEPANE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE DIAZÉPANE ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2016022902A1

  公开（公告）日：2016-02-11

  The present disclosure provides compounds of Formula (I), and pharmaceutically compositions thereof. Compounds of Formula (I) have been found to bind bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits of the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, neurological diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.