2,6-dimethyl-tetrahydro-thiopyran-4-one | 2323-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 2,6-dimethyl-tetrahydro-thiopyran-4-one
• 英文别名: 2,6-Dimethyl-tetrahydro-thiopyran-4-on；2,6-dimethyltetrahydro-4H-thiopyran-4-one；2,6-dimethyltetrahydrothiopyran-4-one；2,6-Dimethyl-penthianon；2,6-dimethylthian-4-one
• CAS: 2323-17-3
• 化学式: C₇H₁₂OS
• 分子量: 144.238
• InChiKey: UBRRNGQYQFJNIG-UHFFFAOYSA-N

物化性质

• 熔点：
  38.5 °C
• 沸点：
  97-98 °C(Press: 16 Torr)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-dimethyl-tetrahydro-thiopyran-4-one 在 吡啶 、 双氧水 、 溶剂黄146 作用下， 生成 2,6-Dimethyl-4H-thiopyran-4-one 1,1-dioxide
  参考文献：
  名称：

  Arndt, Istanbul Universitesi Fen Fakultesi Mecmuasi, 1948, vol. 13, p. 57,63

  摘要：

  DOI：
• 作为产物：
  描述：

  1,6-庚二烯-4-醇 在 sodiumsulfide nonahydrate 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 8.0h， 生成 2,6-dimethyl-tetrahydro-thiopyran-4-one
  参考文献：
  名称：

  WO2008/118724

  摘要：

  公开号：

文献信息

• INHIBITORS OF C-FMS KINASE
  申请人：Illig Carl R.

  公开号：US20070249680A1

  公开（公告）日：2007-10-25

  The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, prostate cancer, lung cancer, colon cancer, stomach cancer, hairy cell leukemia; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including rheumatoid arthritis, and other forms of inflammatory arthritis, osteoarthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.

  本发明涉及式I化合物：其中Z、X、J、R2和W如规范中所述，以及其溶剂化物、水合物、互变异构体和药学上可接受的盐，其抑制蛋白酪氨酸激酶，特别是c-fms激酶。本发明还提供了使用式I化合物治疗自身免疫性疾病和具有炎症成分的疾病；治疗卵巢癌、子宫癌、乳腺癌、前列腺癌、肺癌、结肠癌、胃癌、毛细胞白血病的转移；以及治疗疼痛，包括肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏、炎症和神经源性疼痛；以及骨质疏松症、帕吉特病和其他骨吸收介导的疾病，包括类风湿性关节炎和其他形式的炎症性关节炎、骨关节炎、假体失效、骨溶性肉瘤、骨髓瘤和肿瘤转移至骨骼。
• 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。
• Indole carboxamides as IKK2 inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US08071584B2

  公开（公告）日：2011-12-06

  The invention is directed to novel indole carboxamide derivatives. 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.

  本发明涉及新型的吲哚羧酰胺衍生物。具体而言，本发明涉及式（I）所示的化合物：其中R1、R2、R3、R4和m的定义如本文所述。本发明所述的化合物是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抑制IKK2活性和治疗与之相关的疾病的方法。
• Horak; Cerny, Collection of Czechoslovak Chemical Communications, 1953, vol. 18, p. 379,381
  作者：Horak、Cerny

  DOI：——

  日期：——
• Horak et al., Acta Chimica Academiae Scientiarum Hungaricae, 1959, vol. 21, p. 97,101
  作者：Horak et al.

  DOI：——

  日期：——