2-(2-cyclopropylmethoxy-4-fluoro-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane | 1185836-96-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(2-cyclopropylmethoxy-4-fluoro-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
• 英文别名: 2-(2-(Cyclopropylmethoxy)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS: 1185836-96-7
• 化学式: C₁₆H₂₂BFO₃
• 分子量: 292.158
• InChiKey: JMYZOCSPIBZDAE-UHFFFAOYSA-N

物化性质

• 沸点：
  370.4±32.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.91
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl-4-chloro-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate 、 2-(2-cyclopropylmethoxy-4-fluoro-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane 生成 ethyl 4-(2-cyclopropylmethoxy-4-fluorophenyl)-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
  参考文献：
  名称：

  Methylpyrrolopyrimidinecarboxamides

  摘要：

  公式（I）的化合物，其中R1，R2，R21，R22，R23，R24，Y和R3的含义如描述中所述，其盐，化合物的立体异构体及其盐是有效的5型磷酸二酯酶抑制剂，可用于治疗或预防特发性肺纤维化。

  公开号：

  US09376442B2

文献信息

• METHYLPYRROLOPYRIMIDINECARBOXAMIDES
  申请人：Stadlwieser Josef

  公开号：US20120149721A1

  公开（公告）日：2012-06-14

  The compounds of Formula (I), wherein R1, R2, R21, R22, R23, R24, Y and R3 have the meanings as given in the description, the salts thereof, the stereoisomers of the compounds and the salts thereof are effective inhibitors of the type 5 phosphodiesterase.

  公式（I）的化合物，其中R1、R2、R21、R22、R23、R24、Y和R3的含义如说明书中所述，其盐，化合物的立体异构体及其盐是有效的5型磷酸二酯酶抑制剂。
• METHYLPYRROLOPYRIDINECARBOXAMIDES
  申请人：Stadlwieser Josef

  公开号：US20120142633A1

  公开（公告）日：2012-06-07

  The compounds of Formula (I), wherein R1, R21, R22, R23, R24, Y and R3 have the meanings as given in the description, the salts thereof, the stereoisomers of the compounds and the salts thereof are effective inhibitors of the type 5 phosphodiesterase.

  公式（I）的化合物，其中R1，R21，R22，R23，R24，Y和R3的含义如描述中所给，其盐，化合物和盐的立体异构体是5型磷酸二酯酶的有效抑制剂。
• PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES
  申请人：Eickhoff Jan

  公开号：US20130079345A1

  公开（公告）日：2013-03-28

  The present invention relates to disubstituted triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said disubstituted triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said disubstituted triazine derivatives as inhibitors for a protein kinase.

  本发明涉及二取代三嗪衍生物和/或其药学上可接受的盐，这些衍生物作为药物活性剂的使用，特别是用于预防和/或治疗传染病，包括机会性疾病、免疫疾病、自身免疫性疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及至少包含其中一种二取代三嗪衍生物和/或其药学上可接受的盐的制药组合物。此外，本发明涉及使用所述二取代三嗪衍生物作为蛋白激酶抑制剂的用途。
• Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines
  申请人：Stadlwieser Josef

  公开号：US08445501B2

  公开（公告）日：2013-05-21

  The compounds of Formula (I), in which R1, R21, R22, R23, R24, Y and R3 have the meanings as given in the description, the salts thereof, the N-oxides of the compounds and the salts thereof and the stereoisomers of the compounds, the salts, the N-oxides of the compounds and the N-oxides of the salts thereof are effective inhibitors of the type 5 phosphodiesterase.

  式（I）的化合物，其中R1、R21、R22、R23、R24、Y和R3的含义如所述，其盐，化合物的N-氧化物及其盐和化合物的立体异构体，盐，化合物的N-氧化物和其盐的N-氧化物是有效的5型磷酸二酯酶抑制剂。
• Methylpyrrolopyridinecarboxamides
  申请人：Stadlwieser Josef

  公开号：US08816085B2

  公开（公告）日：2014-08-26

  The compounds of Formula (I), wherein R1, R21, R22, R23, R24, Y and R3 have the meanings as given in the description, the salts thereof, the stereoisomers of the compounds and the salts thereof are effective inhibitors of the type 5 phosphodiesterase.

  公式（I）的化合物，其中R1，R21，R22，R23，R24，Y和R3的含义如描述中所给，其盐，化合物和盐的立体异构体均为5型磷酸二酯酶的有效抑制剂。