methyl 3-oxotetrahydro-2H-thiopyran-4-carboxylate | 1369098-29-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: methyl 3-oxotetrahydro-2H-thiopyran-4-carboxylate
• 英文别名: methyl 3-oxothiane-4-carboxylate
• CAS: 1369098-29-2
• 化学式: C₇H₁₀O₃S
• 分子量: 174.221
• InChiKey: OBJGTGYIKSEYBA-UHFFFAOYSA-N

物化性质

• 沸点：
  266.4±40.0 °C(Predicted)
• 密度：
  1.244±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯丁酸乙酯 在 乙醇 、 sodium 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 methyl 3-oxotetrahydro-2H-thiopyran-4-carboxylate
  参考文献：
  名称：

  [EN] MORPHOLINO SUBSTITUTED BICYCLIC PYRIMIDINE UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS
  [FR] DÉRIVÉS URÉE OU CARBAMATE DE PYRIMIDINE BICYCLIQUE À SUBSTITUTION MORPHOLINO EN TANT QU'INHIBITEURS DE MTOR

  摘要：

  该发明涉及式(I)的化合物，其中m、o、Ra、Rb、R1和T1的含义如描述和权利要求中所述。所述化合物可用作mTOR的抑制剂，用于治疗或预防与mTOR相关的疾病和紊乱。该发明还涉及包括所述化合物的药物组合物，以及制备此类化合物以及用作药物的用途。

  公开号：

  WO2013050508A1

文献信息

• INDOLE CARBOXAMIDES AS IKK2 INHIBITORS
  申请人：Boehm Jeffrey Charles

  公开号：US20120040958A1

  公开（公告）日：2012-02-16

  The invention is directed to novel indole carboxamide compounds. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, rhinitis, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型吲哚羧酰胺化合物。具体而言，本发明涉及符合式(I)的化合物：其中R1、R2、R3、R4和m的定义如本文所述。本发明的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘、鼻炎和COPD（慢性阻塞性肺疾病）。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制IKK2活性和治疗与之相关的疾病的方法。
• MORPHOLINO SUBSTITUTED BICYCLIC PYRIMIDINE UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS
  申请人：CELLZOME LIMITED

  公开号：US20140288066A1

  公开（公告）日：2014-09-25

  The invention relates to compounds of formula (I) wherein m, o, R a , R b , R 1 and T 1 have the meaning as cited in the description and the claims. The compounds are useful as inhibitors of mTOR for the treatment or prophylaxis of mTOR related diseases and disorders. The invention also relates to pharmaceutical compositions including the compounds, the preparation of the compounds as well as their use as medicaments.

  本发明涉及式（I）化合物，其中m，o，Ra，Rb，R1和T1的含义如说明书和权利要求所述。该化合物可用作mTOR的抑制剂，用于治疗或预防与mTOR相关的疾病和障碍。本发明还涉及包括该化合物的制药组合物、该化合物的制备以及其作为药物的用途。
• Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors
  作者：Taiji Goto、Akiko Shiina、Toshiharu Yoshino、Kiyoshi Mizukami、Kazuki Hirahara、Osamu Suzuki、Yoshitaka Sogawa、Tomoko Takahashi、Tsuyoshi Mikkaichi、Naoki Nakao、Mizuki Takahashi、Masashi Hasegawa、Shigeki Sasaki

  DOI：10.1016/j.bmcl.2013.03.104

  日期：2013.6

  2-Phenyl-4-piperidinyl-6,7-dihydrothieno[3,4-d] pyrimidine derivative (2) was found to be a new PDE4 inhibitor with moderate PDE4B activity (IC50 = 150 nM). A number of derivatives with a variety of 4-amino substituents and fused bicyclic pyrimidines were synthesized. Among these, 5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d] pyrimidine derivative (18) showed potent PDE4B inhibitory activity (IC50 = 25 nM). Finally, N-propylacetamide derivative (31b) was determined as a potent inhibitor for both PDE4B (IC50 = 7.5 nM) and TNF-alpha production in mouse splenocytes (IC50 = 9.8 nM) and showed good in vivo anti-inflammatory activity in the LPS-induced lung inflammation model in mice (ID50 = 18 mg/kg). The binding mode of the new inhibitor (31e) in the catalytic site of PDE4B is presented based on an X-ray crystal structure of the ligand-enzyme complex. (C) 2013 Elsevier Ltd. All rights reserved.
• {(4-(4-MORPHOLINO-DIHYDROTHIENO[3,4-D]PYRIMIDIN-2-YL)ARYL}UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS
  申请人：Cellzome Limited

  公开号：EP2763985B1

  公开（公告）日：2016-06-22
• US8071584B2
  申请人：——

  公开号：US8071584B2

  公开（公告）日：2011-12-06