ethyl 2-(methylthio)-1H-imidazole-4-carboxylate | 177911-15-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: ethyl 2-(methylthio)-1H-imidazole-4-carboxylate
• 英文别名: ethyl 2-methylsulfanyl-1H-imidazole-5-carboxylate
• CAS: 177911-15-8
• 化学式: C₇H₁₀N₂O₂S
• 分子量: 186.235
• InChiKey: CBTXIWGJLWXYGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(methylthio)-1H-imidazole-4-carboxylate 、 1,4-二碘苯 在 copper(l) iodide 8-羟基喹啉 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 72.0h， 生成 ethyl 1-(4-iodophenyl)-2-(methylthio)-1H-imidazole-4-carboxylate
  参考文献：
  名称：

  FACTOR XA INHIBITORS

  摘要：

  本发明涉及式(I)的化合物及其药学上可接受的盐、酯和前药，这些化合物是Xa因子的抑制剂。本发明还涉及用于制备这类化合物的中间体，含有这种化合物的药物组合物，预防或治疗一系列以不良血栓形成为特征的疾病的方法，以及抑制血样凝血的方法。

  公开号：

  US20070259924A1
• 作为产物：
  描述：

  4-乙氧基羰基咪唑-2-硫醇 、 碘甲烷 以 丙酮 为溶剂， 反应 16.17h， 以to give ethyl 2-(methylthio)-1H-imidazole-4-carboxylate (3.47 g)的产率得到ethyl 2-(methylthio)-1H-imidazole-4-carboxylate
  参考文献：
  名称：

  Factor XA inhibitors

  摘要：

  本发明涉及式(I)化合物及其药学上可接受的盐、酯和前药，其为凝血因子Xa的抑制剂。本发明还涉及用于制备这种化合物的中间体，含有这种化合物的药物组合物，预防或治疗一系列不良血栓形成状况的方法，以及抑制血样凝血的方法。

  公开号：

  US08349873B2

文献信息

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

  公开号：US20070249593A1

  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在说明书中规定，以及抑制蛋白酪氨酸激酶，尤其是c-fms激酶的溶剂化物、水合物、互变异构体和药用盐。治疗自身免疫病；和治疗具有炎症成分的疾病；治疗来自卵巢癌、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；和治疗疼痛，包括由肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏、炎症性和神经性疼痛；以及骨质疏松症、佩吉特病，以及骨吸收介导病状的其它疾病，包括类风湿性关节炎、其它形式的炎症性关节炎、骨关节炎、假体失败、溶骨肉瘤、骨髓瘤和骨转移瘤，也提供了式I化合物。
• Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same
  申请人：——

  公开号：US20040204432A1

  公开（公告）日：2004-10-14

  The present invention provides for pyrazolopurine-based tricyclic compounds having the formula (I), 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有式(I)的吡唑并嘧啶基三环化合物，其中R1、R2、R3、R4、R5和R6如本文所述。本发明还提供包含这些化合物的药物组合物，以及使用这些化合物治疗炎症和免疫性疾病的方法。
• Inhibitors of C-FMS Kinase
  申请人：Illig Carl R.

  公开号：US20080275031A1

  公开（公告）日：2008-11-06

  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.

  本发明涉及公式I的化合物：其中Z，X，J，R2和W在规范中设置，以及其溶剂化物，水合物，互变异构体和药学上可接受的盐，该化合物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公式I化合物治疗自身免疫性疾病和具有炎症成分的疾病的方法；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，包括由肿瘤转移或骨关节炎引起的骨骼疼痛，或脏器，炎症和神经源性疼痛；以及骨质疏松症，帕吉特氏病和其他骨吸收介导发病率的疾病，包括类风湿性关节炎和其他形式的炎性关节炎，骨关节炎，假体失败，骨溶性肉瘤，骨髓瘤和肿瘤转移至骨骼的公式I化合物。
• Factor Xa inhibitors
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US08063077B2

  公开（公告）日：2011-11-22

  The present invention is directed to compounds of formula (I) and pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of Factor Xa. The present invention is also directed to intermediates used in making such compounds, pharmaceutical compositions containing such a compound, methods to prevent or treat a number of conditions characterized by undesired thrombosis and methods of inhibiting the coagulation of a blood sample.

  本发明涉及式（I）的化合物及其药学上可接受的盐、酯和前药，它们是凝血因子Xa的抑制剂。本发明还涉及用于制备这种化合物的中间体，含有这种化合物的药物组合物，预防或治疗多种以不良血栓形成为特征的疾病的方法，以及抑制血样凝血的方法。
• Triazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same
  申请人：Combs Donald

  公开号：US20050038054A1

  公开（公告）日：2005-02-17

  The present invention provides for triazolopurine-based tricyclic compounds having the formula (I), wherein R 1 , R 2 , R 3 , R 4 , and R 5 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有式（I）的三唑嘌呤基三环化合物、 其中 R 1 , R 2 , R 3 , R 4 和 R 5 如本文所述。本发明进一步提供了包含此类化合物的药物组合物，以及使用此类化合物治疗炎症和免疫疾病的方法。