ethyl 6-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylcarbamate | 1567964-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 6-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylcarbamate
• 英文别名: Ethyl6-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylcarbamate；ethyl N-[6-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]carbamate
• CAS: 1567964-87-7
• 化学式: C₂₂H₂₃ClN₆O₂
• 分子量: 438.917
• InChiKey: FOQCYXPFTMSMJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-溴-3,5-二甲基吡啶 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 potassium phosphate monohydrate 、 N,N-二异丙基乙胺 、 cesium fluoride 作用下， 以 1,4-二氧六环 、 水 、 二甲基亚砜 为溶剂， 反应 36.0h， 生成 ethyl 6-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylcarbamate
  参考文献：
  名称：

  [EN] HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF
  [FR] INHIBITEURS DE LA VOIE SIGNALISATION HEDGEHOG ET LEURS APPLICATIONS THÉRAPEUTIQUES

  摘要：

  刺猬（Hh）信号通路是一条在胚胎发育过程中调节图案形成、生长和细胞迁移的通路，但在成年后仅限于组织维护和修复。抑制性通路组分的突变失活导致刺猬信号通路的成熟配体无关激活，导致基底细胞癌和髓母细胞瘤等癌症的发生。刺猬信号的配体依赖性激活参与前列腺癌、胰腺癌、乳腺癌和血液癌的发生。因此，抑制异常的刺猬信号代表了一种有前途的新型抗癌疗法。该发明提供了一种抑制刺猬通路信号的化合物I的新分子，并为治疗恶性肿瘤（基底细胞癌、髓母细胞瘤、胶质母细胞瘤、非小细胞肺癌、前列腺癌、胰腺癌、血液癌、间叶细胞癌等）、预防肿瘤再生长、增强放疗和化疗的敏感性以及其他疾病（炎症、纤维化和免疫紊乱）的治疗应用。

  公开号：

  WO2014113191A1

文献信息

• HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF
  申请人：Suzhou Yunxuan Yiyao Keji Youxian Gongsi

  公开号：US20160024095A1

  公开（公告）日：2016-01-28

  The hedgehog (Hh) signaling pathway is a pathway which regulates patterning, growth and cell migration during embryonic development, but in adulthood is limited to tissue maintenance and repair. Mutational inactivation of the inhibitory pathway components leads to constitutive ligand-independent activation of the Hh signaling pathway, results in cancers such as basal cell carcinoma and medulloblastoma. Ligand-dependent activation of Hh signaling is involved in prostate cancer, pancreatic cancer, breast cancer and some blood cancers. Therefore, inhibition of the aberrant Hh signaling represents a promising approach toward novel anticancer therapy. The present invention provides novel molecules of formula I that inhibit hedgehog pathway signaling and provides therapeutic applications for the treatment of malignancies (basal cell carcinoma, medulloblastoma, glioblastoma, non-small cell lung cancer, prostate cancer, pancreatic cancer, blood cancers, mesenchymal cancers, etc.), prevention of tumor regrowth, sensitization of radio-chemo therapies, and other diseases (inflammation, fibrosis and immune disorders) related to hedgehog signaling.

  刺猬（Hh）信号通路是一种在胚胎发育期间调节模式、生长和细胞迁移的通路，但在成年后仅限于组织维护和修复。抑制通路成分的突变失活导致Hh信号通路的构成性配体无关激活，导致基底细胞癌和髓母细胞瘤等癌症。Hh信号的配体依赖性激活涉及前列腺癌、胰腺癌、乳腺癌和一些血液癌症。因此，抑制异常的Hh信号是一种有前途的新型抗癌治疗方法。本发明提供了公式I的新型分子，可以抑制刺猬通路信号，并提供治疗恶性肿瘤（基底细胞癌、髓母细胞瘤、胶质母细胞瘤、非小细胞肺癌、前列腺癌、胰腺癌、血液癌症、间叶癌症等），预防肿瘤再生长，增强放化疗的敏感性，以及与刺猬信号相关的其他疾病（炎症、纤维化和免疫障碍）的治疗应用。
• US9695178B2
  申请人：——

  公开号：US9695178B2

  公开（公告）日：2017-07-04
• [EN] HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF<br/>[FR] INHIBITEURS DE LA VOIE SIGNALISATION HEDGEHOG ET LEURS APPLICATIONS THÉRAPEUTIQUES
  申请人：ZHANG XIAOHU

  公开号：WO2014113191A1

  公开（公告）日：2014-07-24

  The hedgehog (Hh) signaling pathway is a pathway which regulates patterning, growth and cell migration during embryonic development, but in adulthood is limited to tissue maintenance and repair. Mutational inactivation of the inhibitory pathway components leads to constitutive ligand-independent activation of the Hh signaling pathway, results in cancers such as basal cell carcinoma and medulloblastoma. Ligand-dependent activation of Hh signaling is involved in prostate cancer, pancreatic cancer, breast cancer and blood cancers. Therefore, inhibition of the aberrant Hh signaling represents a promising approach toward novel anticancer therapy. The invention provides novel molecules of formula I that inhibit hedgehog pathway signaling and provides therapeutic applications for the treatment of malignancies (basal cell carcinoma, medulloblastoma, glioblastoma, non-small cell lung cancer, prostate cancer, pancreatic cancer, blood cancers, mesenchymal cancers, etc.), prevention of tumor regrowth, sensitization of radio-chemo therapies, and other diseases (inflammation, fibrosis and immune disorders).

  刺猬（Hh）信号通路是一条在胚胎发育过程中调节图案形成、生长和细胞迁移的通路，但在成年后仅限于组织维护和修复。抑制性通路组分的突变失活导致刺猬信号通路的成熟配体无关激活，导致基底细胞癌和髓母细胞瘤等癌症的发生。刺猬信号的配体依赖性激活参与前列腺癌、胰腺癌、乳腺癌和血液癌的发生。因此，抑制异常的刺猬信号代表了一种有前途的新型抗癌疗法。该发明提供了一种抑制刺猬通路信号的化合物I的新分子，并为治疗恶性肿瘤（基底细胞癌、髓母细胞瘤、胶质母细胞瘤、非小细胞肺癌、前列腺癌、胰腺癌、血液癌、间叶细胞癌等）、预防肿瘤再生长、增强放疗和化疗的敏感性以及其他疾病（炎症、纤维化和免疫紊乱）的治疗应用。