ethyl 4-(4-(4-((trans-4-(tert-butyl)cyclohexyl)oxy)phenyl)piperazin-1-yl)butanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: ethyl 4-(4-(4-((trans-4-(tert-butyl)cyclohexyl)oxy)phenyl)piperazin-1-yl)butanoate
• 英文别名: Ethyl 4-[4-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperazin-1-yl]butanoate；ethyl 4-[4-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperazin-1-yl]butanoate
• 化学式: C₂₆H₄₂N₂O₃
• 分子量: 430.631
• InChiKey: SXTTYAQVPBYXQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• [EN] S1P AND/OR ATX MODULATING AGENTS<br/>[FR] AGENTS MODULANT S1P ET/OU ATX
  申请人：BIOGEN IDEC INC

  公开号：WO2014081752A1

  公开（公告）日：2014-05-30

  Compounds of formula (I) wherein: X is -0-, -S(0)r-, -CH2-, or -NR-, wherein r is 0, 1, or 2; X 1, X2, and X5 are each independently CR7 or N; one of X3 or X4 is C and is attached by a single bond to -L-, and the other is CR7 or N, provided that no more than three of X1, X2, X3, X or X5 are N; Ring A is monocyclic C5-6scycloalkyl or a 5- to 6-membered monocyclic heterocyclyl comprising from 1 to 5 heteroatoms independently selected from N, S, or 0; wherein Ring A is further optionally substituted with from 1 to 3 R4; provided that Ring A is not morpholinyl, thiomorpholinyl or tetrahydro-2H-pyranyl; L is a bond, -0-, -NR-, -S(0)n-, -CH2-,or -C(O)-, wherein n is 0, 1, or 2; 1 2 L1 is an C1-8alkylene, C3-scycloalkylene, -CH2-L2 -, or a 3- to 8- membered heterocyclylene comprising 1 to 5; R1 is C6-20alkyl or a monocyclic C3-8cycloalkyl; wherein said C3-8cycloalkyl is substituted with at least one R6 and may be optionally substituted with from 1 to 5 additional R6 substituents, wherein R6 for each occurrence is independently selected; and R2 is -C(0)OR3, -C(0)N(R3)-S(0)2R3, -S(0)2OR3, -C(0)NHC(0) R3, -Si(0)OH, - B(OH)2, -N(R3)S(0)2R3, -S(0)2N(R3)2, -O-P(O) (OR3)2, or -P(0)(OR3)2, -CN, - S(0)2NHC(0)R3, -C(0)NHS(0)2R3, - C(0)NHOH, -C(0)NHCN, -CH(CF3)OH, -C(CF3)2OH, or a selected heteroaryl or heterocyclyl; and pharmaceutically acceptable salts thereof, can modulate the activity of one or more SIP receptors and/or the activity of autotaxin (ATX).

  式(I)的化合物，其中：X为-0-，-S(0)r-，-CH2-或-NR-，其中r为0、1或2；X1、X2和X5分别独立为CR7或N；X3或X4中的一个为C，并通过单键连接到-L-，另一个为CR7或N，前提是X1、X2、X3、X或X5中不超过三个为N；环A为单环C5-6脂环烷基或由1至5个杂原子（独立选择自N、S或0）构成的5至6成员单环杂环烷基；其中环A还可选择地取代1至3个R4；前提是环A不是吗啉基、硫吗啉基或四氢-2H-吡喃基；L为键、-0-、-NR-、-S(0)n-、- -或-C(O)-，其中n为0、1或2；L1为C1-8烷基、C3-脂环烷基、- -L2-或由1至5个杂原子构成的3至8成员杂环亚烷基；R1为C6-20烷基或单环C3-8脂环烷基；其中所述的C3-8脂环烷基被至少一个R6取代，并且可以选择地取代1至5个额外的R6取代基，其中每次出现的R6独立选择；R2为-C(0)OR3、-C(0)N(R3)-S(0)2R3、-S(0)2OR3、-C(0)NHC(0)R3、-Si(0)OH、-B(OH)2、-N(R3)S(0)2R3、-S(0)2N(R3)2、-O-P(O)(OR3)2、或-P(0)(OR3)2、-CN、-S(0)2NHC(0)R3、-C(0)NHS(0)2R3、-C(0)NHOH、-C(0)NHCN、-CH(CF3)OH、-C( )2OH，或所选的杂芳基或杂环基；及其药学上可接受的盐，可以调节一个或多个SIP受体的活性和/或自动税脂酶（ATX）的活性。
• COPOLYMER SEMICONDUCTORS COMPRISING THIAZOLOTHIAZOLE OR BENZOBISTHIAZOLE, OR BENZOBISOXAZOLE ELECTRON ACCEPTOR SUBUNITS, AND ELECTRON DONOR SUBUNITS, AND THEIR USES IN TRANSISTORS AND SOLAR CELLS
  申请人：Jenekhe Samson A.

  公开号：US20120273732A1

  公开（公告）日：2012-11-01

  The inventions disclosed, described, and/or claimed herein relate to copolymers comprising copolymers comprising electron accepting A subunits that comprise thiazolothiazole, benzobisthiazole, or benzobisoxazoles rings, and electron donating subunits that comprise certain heterocyclic groups. The copolymers are useful for manufacturing organic electronic devices, including transistors and solar cells. The invention also relates to certain synthetic precursors of the copolymers. Methods for making the copolymers and the derivative electronic devices are also described.

  本文所披露、描述和/或声明的发明涉及包含电子受体A亚单位的共聚物，该共聚物包含噻唑噻唑、苯并噻唑或苯并噁唑环的共聚物，以及包含特定杂环基团的电子给体亚单位。这些共聚物可用于制造有机电子器件，包括晶体管和太阳能电池。该发明还涉及共聚物的某些合成前体。还描述了制造共聚物和衍生电子器件的方法。
• S1P AND/OR ATX MODULATING AGENTS
  申请人：BIOGEN IDEC MA INC.

  公开号：US20150274663A1

  公开（公告）日：2015-10-01

  Compounds of formula (I) wherein: X is —O—, —S(O) r —, —CH 2 —, or —NR—, wherein r is 0, 1, or 2; X 1 , X 2 , and X 5 are each independently CR 7 or N; one of X 3 or X 4 is C and is attached by a single bond to -L-, and the other is CR 7 or N, provided that no more than three of X 1 , X 2 , X 3 , X or X 5 are N; Ring A is monocyclic C 5-6 scycloalkyl or a 5- to 6-membered monocyclic heterocyclyl comprising from 1 to 5 heteroatoms independently selected from N, S, or O; wherein Ring A is further optionally substituted with from 1 to 3 R 4 ; provided that Ring A is not morpholinyl, thiomorpholinyl or tetrahydro-2H-pyranyl; L is a bond, —O—, —NR—, —S(O) n —, —CH 2 —, or —C(O)—, wherein n is 0, 1, or 2; 1 2 L 1 is an C 1-8 alkylene, C 3-s cycloalkylene, —CH 2 -L 2 -, or a 3- to 8-membered heterocyclylene comprising 1 to 5; R 1 is C 6-20 alkyl or a monocyclic C 3-8 cycloalkyl; wherein said C 3-8 cycloalkyl is substituted with at least one R 6 and may be optionally substituted with from 1 to 5 additional R 6 substituents, wherein R 6 for each occurrence is independently selected; and R 2 is —C(O)OR 3 , —C(O)N(R 3 )—S(O) 2 R 3 , —S(O) 2 OR 3 , —C(O)NHC(O)R 3 , —Si(O)OH, —B(OH) 2 , —N(R 3 )S(O) 2 R 3 , —S(O) 2 N(R 3 ) 2 , —O—P(O)(OR 3 ) 2 , or —P(O)(OR 3 ) 2 , —CN, —S(O) 2 NHC(O)R 3 , —C(O)NHS(O) 2 R3, —C(O)NHOH, —C(O)NHCN, —CH(CF 3 )OH, —C(CF 3 ) 2 OH, or a selected heteroaryl or heterocyclyl; and pharmaceutically acceptable salts thereof, can modulate the activity of one or more SIP receptors and/or the activity of autotaxin (ATX).

  化合物的公式（I），其中：X为—O—，—S（O）r—，—CH2—或—NR—，其中r为0、1或2；X1、X2和X5各自独立地为CR7或N；X3或X4中的一个为C，并通过单键连接到-L-，另一个为CR7或N，前提是X1、X2、X3、X或X5中不超过三个为N；环A为单环C5-6环烷基或由1至5个杂原子独立选择的N、S或O构成的5-至6元单环杂环基；其中环A还可以用1至3个R4取代；前提是环A不是吗啡啶基、硫代吗啡啶基或四氢-2H-吡喃基；L为键，—O—，—NR—，—S（O）n—，— —或—C（O）—，其中n为0、1或2；L1为C1-8烷基、C3-环烷基、— -L2-或1至5个杂环基，其中每个杂环基包含1至5个原子；R1为C6-20烷基或单环C3-8环烷基；其中所述的C3-8环烷基被至少一个R6取代，并且可以选择地用1至5个额外的R6取代，其中每个出现的R6是独立选择的；R2为—C（O）OR3、—C（O）N（R3）—S（O）2R3、—S（O）2OR3、—C（O）NHC（O）R3、—Si（O）OH、—B（OH）2、—N（R3）S（O）2R3、—S（O）2N（R3）2、—O—P（O）（OR3）2或—P（O）（OR3）2、—CN、—S（O）2NHC（O）R3、—C（O）NHS（O）2R3、—C（O）NHOH、—C（O）NHCN、—CH（CF3）OH、—C（ ）2OH或所选的杂芳基或杂环基；以及其药学上可接受的盐，可以调节一个或多个SIP受体和/或自体移动素（ATX）的活性。
• US9850206B2
  申请人：——

  公开号：US9850206B2

  公开（公告）日：2017-12-26