(R)-2-[(cyclopropyl)(2-methylpheny)methoxymethyl]oxirane | 400613-96-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-2-[(cyclopropyl)(2-methylpheny)methoxymethyl]oxirane
• 英文别名: (2R)-2-[[Cyclopropyl(2-methylphenyl)methoxy]methyl]oxirane；(2R)-2-[[cyclopropyl-(2-methylphenyl)methoxy]methyl]oxirane
• CAS: 400613-96-9
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: ORVKLSGGXJCDHZ-PUODRLBUSA-N

物化性质

• 沸点：
  322.3±22.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  21.8
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Calcium receptor antagonist
  申请人：——

  公开号：US20040006130A1

  公开（公告）日：2004-01-08

  A compound of the formula [I] 1 wherein R 1 is optionally substituted aryl group or optionally substituted heteroaryl group; R 2 is optionally substituted C 1-6 alkyl group, C 3-7 cycloalkyl group and the like; R 3 is hydrogen atom, C 1-6 alkyl group, hydroxyl group and the like; R 4 is hydrogen atom, C 1-6 alkyl group and the like; R 5 and R 6 are each C 1-6 alkyl group and the like; R 7 is optionally substituted aryl group or optionally substituted heteroaryl group; X 1 , X 2 and X 3 are each C 1-6 alkylene group and the like; and X 4 and X 5 are each a single bond, methylene group and the like, a salt thereof, a solvate thereof or a prodrug thereof, and a pharmaceutical composition containing the compound, particularly a calcium receptor antagonist and a therapeutic agent for osteoporosis, are provided. The compound of the present invention is useful as a therapeutic drug of diseases accompanied by abnormal calcium homeostasis, or osteoporosis, hypoparathyreosis, osteosarcoma, periodontal disease, bone fracture, steoarthrosis, chronic rheumatoid arthritis, Paget's disease, humoral hypercalcemia, autosomal dominant hypocalcemia and the like. In addition, an intermediate for the compound is provided.

  式为[I]的化合物，其中R1是可选择取代的芳基或可选择取代的杂环基；R2是可选择取代的C1-6烷基、C3-7环烷基等；R3是氢原子、C1-6烷基、羟基等；R4是氢原子、C1-6烷基等；R5和R6分别是C1-6烷基等；R7是可选择取代的芳基或可选择取代的杂环基；X1、X2和X3分别是C1-6亚烷基等；X4和X5分别是单键、亚甲基基团等，提供其盐、溶剂合物或前药，以及含有该化合物的药物组合物，特别是一种钙受体拮抗剂和治疗骨质疏松症的药物。本发明的化合物可用作伴有异常钙稳态或骨质疏松症、甲状旁腺功能减退症、骨肉瘤、牙周病、骨折、骨关节炎、慢性类风湿关节炎、帕盖特病、体液性高钙血症、常染色体显性低钙血症等疾病的治疗药物。此外，还提供了该化合物的中间体。
• Calcium receptor antagonists
  申请人：Shinagawa Yuko

  公开号：US20050107448A1

  公开（公告）日：2005-05-19

  A compound of the formula [I] wherein R 1 is optionally substituted aryl group or optionally substituted heteroaryl group; R 2 is optionally substituted C 1-6 alkyl group, C 3-7 cycloalkyl group and the like; R 3 is hydrogen atom, C 1-6 alkyl group, hydroxyl group and the like; R 4 is hydrogen atom, C 1-6 alkyl group and the like; R 5 and R 6 are each C 1-6 alkyl group and the like; R 7 is optionally substituted aryl group or optionally substituted heteroaryl group; X 1 , X 2 and X 3 are each C 1-6 alkylene group and the like; and X 4 and X 5 are each a single bond, methylene group and the like, a salt thereof, a solvate thereof or a prodrug thereof, and a pharmaceutical composition containing the compound, particularly a calcium receptor antagonist and a therapeutic agent for osteoporosis, are provided. The compound of the present invention is useful as a therapeutic drug of diseases accompanied by abnormal calcium homeostasis, or osteoporosis, hypoparathyreosis, osteosarcoma, periodontal disease, bone fracture, steoarthrosis, chronic rheumatoid arthritis, Paget's disease, humoral hypercalcemia, autosomal dominant hypocalcemia and the like. In addition, an intermediate for the compound is provided.

  本发明提供了式[I]的化合物，其中R1是可选取代芳基或可选取代杂环基；R2是可选取代C1-6烷基、C3-7环烷基等；R3是氢原子、C1-6烷基、羟基等；R4是氢原子、C1-6烷基等；R5和R6分别是C1-6烷基等；R7是可选取代芳基或可选取代杂环基；X1、X2和X3分别是C1-6亚烷基等；X4和X5分别是单键、亚甲基等。本发明还提供了该化合物的盐、溶剂化物或前药，以及包含该化合物的药物组合物，特别是钙受体拮抗剂和治疗骨质疏松症的药物。本发明的化合物可用作伴随异常钙稳态或骨质疏松症、低副甲状腺素血症、骨肉瘤、牙周病、骨折、骨关节炎、慢性类风湿性关节炎、帕盖特病、体液性高钙血症、常染色体显性低钙血症等疾病的治疗药物。此外，还提供了该化合物的中间体。
• CALCIUM RECEPTOR ANTAGONISTS
  申请人：Japan Tobacco Inc.

  公开号：EP1308436B1

  公开（公告）日：2008-10-15
• US6916956B2
  申请人：——

  公开号：US6916956B2

  公开（公告）日：2005-07-12
• US7211685B2
  申请人：——

  公开号：US7211685B2

  公开（公告）日：2007-05-01