4,5-Diisopropyl-pyrrol-2-carbonsaeure-methylester | 7136-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4,5-Diisopropyl-pyrrol-2-carbonsaeure-methylester
• 英文别名: methyl 4,5-di(propan-2-yl)-1H-pyrrole-2-carboxylate
• CAS: 7136-76-7
• 化学式: C₁₂H₁₉NO₂
• 分子量: 209.288
• InChiKey: VQBPGGUEANYLKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• 5-MEMBERED HETEROCYCLIC COMPOUND
  申请人：Muratake Hideaki

  公开号：US20110213156A1

  公开（公告）日：2011-09-01

  A compound represented by the following general formula (I): [wherein R 1 and R 2 represent an alkyl group, X represents —S—, —O— or —NH—, Y represents C or N, R 3 represents hydrogen atom or a C 1-10 alkyl group, Z represents —CO—N(R 5 )— (R 5 represents hydrogen atom or a C 1-6 alkyl group) or —C(R 6 )═C(R 7 )—CO—NH— (R 6 and R 7 represent hydrogen atom or a C 1-6 alkyl group), Ar represents an aryldiyl group or a heteroaryldiyl group, and R 4 represents —COOH, —OCH 2 —COOH, —CH 2 —COOH, or —CH 2 —CH 2 —COOH], which has a retinoid action and is useful as an active ingredient of a medicament.

  以下是通用式(I)所代表的化合物：[其中R1和R2代表烷基，X代表—S—、—O—或—NH—，Y代表C或N，R3代表氢原子或C1-10烷基，Z代表—CO—N(R5)—(R5代表氢原子或C1-6烷基)或—C(R6)═C(R7)—CO—NH—(R6和R7代表氢原子或C1-6烷基)，Ar代表芳基二基团或杂芳基二基团，R4代表—COOH、—O —COOH、—CH2—COOH或— — —COOH]，具有视黄醇作用，是药物的有效成分。
• FIVE-MEMBERED HETEROCYCLIC COMPOUND
  申请人：Research Foundation Itsuu Laboratory

  公开号：EP2189445A1

  公开（公告）日：2010-05-26

  A compound represented by the following general formula (I): [wherein R1 and R2 represent an alkyl group, X represents -S-, -O- or -NH-, Y represents C or N, R3 represents hydrogen atom or a C1-10 alkyl group, Z represents CO-N(R5)- (R5 represents hydrogen atom or a C1-6 alkyl group) or -C(R6)=C(R7)-CO-NH-(R6 and R7 represent hydrogen atom or a C1-6 alkyl group), Ar represents an aryldiyl group or a heteroaryldiyl group, and R4 represents -COOH, -OCH2-COOH, -CH2-COOH, or -CH2-CH2-COOH], which has a retinoid action and is useful as an active ingredient of a medicament.

  由以下通式 (I) 代表的化合物： [其中 R1 和 R2 代表烷基，X 代表-S-、-O-或-NH-，Y 代表 C 或 N，R3 代表氢原子或 C1-10 烷基，Z 代表 CO-N(R5)-（R5 代表氢原子或 C1-6 烷基）或-C(R6)=C(R7)-CO-NH-（R6 和 R7 代表氢原子或 C1-6 烷基）、Ar 代表芳基二烷基或杂芳基二烷基，R4 代表-COOH、-O -COOH、-CH2-COOH 或 - - -COOH]，具有维甲酸作用，可用作药物的活性成分。
• US8722730B2
  申请人：——

  公开号：US8722730B2

  公开（公告）日：2014-05-13