methyl (2S)-1-[2-[4-(5,7-dimethoxy-4-oxochromen-2-yl)phenoxy]ethyl]pyrrolidine-2-carboxylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: methyl (2S)-1-[2-[4-(5,7-dimethoxy-4-oxochromen-2-yl)phenoxy]ethyl]pyrrolidine-2-carboxylate
• 化学式: C₂₅H₂₇NO₇
• 分子量: 453.492
• InChiKey: KPSDJCBSFNCYQZ-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  83.5
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• [EN] APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO<br/>[FR] ANALOGUES D'APIGÉNINE, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：ZHOU JIA

  公开号：WO2015161309A1

  公开（公告）日：2015-10-22

  Certain embodiments are directed to apigenin analogues or derivatives. In certain aspects, the derivatives are developed as cystathionine-beta-synthase (CBS) inhibitors. In certain aspects, the derivatives are used as anticancer or anti-inflammatory agents. Certain embodiments are directed methods of treating or compositions used to treat fibrosis and cancers. In certain aspects one or more compounds described herein can be administered to a subject to treat pancreatic fibrosis, liver fibrosis, pancreatic cancer, colon cancer, breast cancer, brain tumors, head/neck cancer, prostate and lung cancers as well as other inflammation.

  某些实施例涉及芹菜素类似物或衍生物。在某些方面，这些衍生物被开发为半胱氨酸β合酶（CBS）抑制剂。在某些方面，这些衍生物被用作抗癌或抗炎药物。某些实施例涉及治疗纤维化和癌症的方法或用于治疗的组合物。在某些方面，本文描述的一个或多个化合物可以被给予受试者用于治疗胰腺纤维化、肝脏纤维化、胰腺癌、结肠癌、乳腺癌、脑肿瘤、头颈癌、前列腺癌和肺癌以及其他炎症。
• APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO
  申请人：ZHOU Jia

  公开号：US20170204078A1

  公开（公告）日：2017-07-20

  Certain embodiments are directed to apigenin analogues or derivatives. In certain aspects, the derivatives are developed as cystathionine-beta-synthase (CBS) inhibitors. In certain aspects, the derivatives are used as anticancer or anti-inflammatory agents. Certain embodiments are directed methods of treating or compositions used to treat fibrosis and cancers. In certain aspects one or more compounds described herein can be administered to a subject to treat pancreatic fibrosis, liver fibrosis, pancreatic cancer, colon cancer, breast cancer, brain tumors, head/neck cancer, prostate and lung cancers as well as other inflammation.
• US9868715B2
  申请人：——

  公开号：US9868715B2

  公开（公告）日：2018-01-16