1-[2-(4-{5-[butyl(2-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl}-2,6-dimethyl-phenoxy)ethyl]piperidine-4-carboxylic acid | 1311285-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[2-(4-{5-[butyl(2-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl}-2,6-dimethyl-phenoxy)ethyl]piperidine-4-carboxylic acid
• 英文别名: 1-[2-[4-[5-[Butyl-[(2-fluorophenyl)methyl]amino]-1,3,4-thiadiazol-2-yl]-2,6-dimethylphenoxy]ethyl]piperidine-4-carboxylic acid
• CAS: 1311285-88-7
• 化学式: C₂₉H₃₇FN₄O₃S
• 分子量: 540.702
• InChiKey: CJIWQPUQUWDCFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• [EN] NEW 2-AMINOTHIADIAZOLE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE 2-AMINOTHIADIAZOLE
  申请人：ALMIRALL SA

  公开号：WO2011069647A1

  公开（公告）日：2011-06-16

  The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or N-oxide thereof: wherein:. L represents a direct bond or a -S(O)2- group, • n is an integer having a value from 0 to 2, • R1 represents a pyridyl group or an imidazo[1,2-α]pyridinyl group, wherein the pyridyl group is substituted with one or more substituents selected from halogen atoms, a hydroxy group, a C1-4 alkyl group and a C1-4 alkoxy group, or • R1 represents a group of formula: wherein:. Ra and Rb independently represent a hydrogen atom, halogen atom or a linear or branched C1-4, alkyl group,. Rc represents a hydroxy group, a linear or branched C1-4 alkyl group or C1-4 alkoxy group wherein the alkyl and the alkoxy groups independently are optionally substituted with one or more substituents selected from hydroxy group, cyano group and-NR'R" groups and wherein R' represents a hydrogen atom or a linear or branched C1-4 alkyl group, R" represents a hydrogen atom or a linear or branched C1-4 alkyl group optionally substituted with a hydroxycarbonyl group; or R' and R" together with the nitrogen atom to which they are attached form a 4 to 6 membered, saturated heterocyclic ring optionally substituted with a hydroxycarbonyl group.. R2 represents a pyridyl group, a C3-6 cycloalkyl group or a phenyl group which is optionally substituted with one or more substituents selected from halogen atoms, cyano group, and C1-4 alkoxy group; and. R3 represents a C3-6 cycloalkyl group, a C3-6 cycloalkyl-C1-2 alkyl group or a linear or branched C2-4 alkyl group optionally substituted with one or more substituents selected from halogen atoms and C1-2 alkoxy group.

  本发明涉及一种具有如下式(I)的化合物，或其药学上可接受的盐或N-氧化物：其中：L代表直接键或-S(O)2-基团，n是一个取值范围为0至2的整数，R1代表吡啶基或咪唑[1,2-α]吡啶基，其中所述吡啶基被一个或多个卤素原子、一个羟基、一个C1-4烷基基团和一个C1-4烷氧基团中的一种或多种取代基取代，或R1代表如下式的基团：其中：Ra和Rb独立地代表氢原子、卤素原子或线性或支链的C1-4烷基基团，Rc代表一个羟基、一个线性或支链的C1-4烷基基团或C1-4烷氧基团，其中烷基和烷氧基基团可以独立地被一个或多个羟基、氰基和-NR'R"基团中的一种或多种取代基取代，其中R'代表氢原子或线性或支链的C1-4烷基基团，R"代表氢原子或线性或支链的C1-4烷基基团，可选地被一个羟基羰基基团取代；或R'和R"与它们连接的氮原子一起形成一个4至6成员的饱和杂环环，可选地被一个羟基羰基基团取代。R2代表吡啶基、一个C3-6环烷基基团或一个苯基，可选地被一个或多个卤素原子、氰基和C1-4烷氧基中的一种或多种取代基取代；R3代表一个C3-6环烷基基团、一个C3-6环烷基-C1-2烷基基团或一个线性或支链的C2-4烷基基团，可选地被一个或多个卤素原子和C1-2烷氧基中的一种或多种取代基取代。
• New 2-aminothiadiazole derivatives
  申请人：Almirall, S.A.

  公开号：EP2343287A1

  公开（公告）日：2011-07-13

  The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or N-oxide thereof: wherein: • L represents a direct bond or a -S(O)2- group, • n is an integer having a value from 0 to 2, • R1 represents a pyridyl group or an imidazo[1,2-a]pyridinyl group, wherein the pyridyl group is substituted with one or more substituents selected from halogen atoms, a hydroxy group, a C1-4 alkyl group and a C1-4 alkoxy group, or • R1 represents a group of formula: wherein: o Ra and Rb independently represent a hydrogen atom, halogen atom or a linear or branched C1-4 alkyl group, o Rc represents a hydroxy group, a linear or branched C1-4 alkyl group or C1-4 alkoxy group wherein the alkyl and the alkoxy groups independently are optionally substituted with one or more substituents selected from hydroxy group, cyano group and-NR'R" groups and wherein ■ R' represents a hydrogen atom or a linear or branched C1-4 alkyl group, ■ R" represents a hydrogen atom or a linear or branched C1-4 alkyl group optionally substituted with a hydroxycarbonyl group; or ■ R' and R" together with the nitrogen atom to which they are attached form a 4 to 6 membered, saturated heterocyclic ring optionally substituted with a hydroxycarbonyl group. • R2 represents a pyridyl group, a C3-6 cycloalkyl group or a phenyl group which is optionally substituted with one or more substituents selected from halogen atoms, cyano group, and C1-4 alkoxy group; and • R3 represents a C3-6 cycloalkyl group, a C3-6 cycloalkyl-C1-2 alkyl group or a linear or branched C2-4 alkyl group optionally substituted with one or more substituents selected from halogen atoms and C1-2 alkoxy group.

  该发明涉及以下式（I）的化合物，或其药学上可接受的盐或N-氧化物： 其中： • L代表直接键或-S（O）2-基团， • n是一个整数，其值为0到2， • R1代表吡啶基或咪唑[1,2-a]吡啉基团，其中吡啶基被一个或多个取代基取代，所述取代基选自卤原子、羟基、C1-4烷基和C1-4烷氧基，或 • R1代表以下式的基团： 其中： o Ra和Rb独立地代表氢原子、卤原子或线性或支链的C1-4烷基， o Rc代表羟基、线性或支链的C1-4烷基或C1-4烷氧基，其中烷基和烷氧基独立地可以选择性地被一个或多个取代基取代，所述取代基选自羟基、氰基和-NR'R"基团，其中 ■ R'代表氢原子或线性或支链的C1-4烷基， ■ R"代表氢原子或选择性地被羟基羰基基团取代的线性或支链的C1-4烷基；或 ■ R'和R"与它们连接的氮原子一起形成一个4到6成员的饱和杂环环，该环可以选择性地被羟基羰基基团取代。 • R2代表吡啶基、C3-6环烷基基团或苯基，所述苯基可以选择性地被一个或多个取代基取代，所述取代基选自卤原子、氰基和C1-4烷氧基；和 • R3代表C3-6环烷基基团、C3-6环烷基-C1-2烷基基团或线性或支链的C2-4烷基基团，所述烷基基团可以选择性地被一个或多个取代基取代，所述取代基选自卤原子和C1-2烷氧基。