(E)-tert-butyl 3-(4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenyl)propanoate | 1233243-53-2

• 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: (E)-tert-butyl 3-(4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenyl)propanoate
• 英文别名: 3-[4-(N-Hydroxycarbamimidoyl)-2,6-dimethyl-phenyl]-propionic acid tert-butyl ester；tert-butyl 3-[4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenyl]propanoate
• CAS: 1233243-53-2
• 化学式: C₁₆H₂₄N₂O₃
• 分子量: 292.378
• InChiKey: DVGLPDPMEMHLPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-tert-butyl 3-(4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenyl)propanoate 、 4-(2-羟基乙基)苯甲腈 生成 2-(4-hydroxyethyl)phenyl amide oxime
  参考文献：
  名称：

  AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS

  摘要：

  本发明涉及新型氨基吡啶衍生物、其制备方法及其作为药物活性化合物的用途。所述化合物特别作为免疫调节剂。

  公开号：

  US20100087417A1
• 作为产物：
  描述：

  3-(4-cyano-2,6-dimethyl-phenyl)-propionic acid tert-butyl ester 在 盐酸羟胺 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 (E)-tert-butyl 3-(4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenyl)propanoate
  参考文献：
  名称：

  [EN] PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS
  [FR] DÉRIVÉS DE PYRIDIN-2-YLE UTILISÉS COMME AGENTS IMMUNOMODULATEURS

  摘要：

  这项发明涉及公式（I）的吡啶衍生物，其中A、R1、R2、R3、R4、R5、R6和R7如描述中所述，它们的制备以及它们作为药用活性化合物的用途。这些化合物特别作为免疫调节剂。

  公开号：

  WO2009109872A1

文献信息

• [EN] PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS<br/>[FR] DÉRIVÉS DE PYRIDIN-2-YLE UTILISÉS COMME AGENTS IMMUNOMODULATEURS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009109872A1

  公开（公告）日：2009-09-11

  The invention relates to pyridine derivatives of Formula (I), wherein A, R1, R2, R3, R4, R5, R6 and R7 are as described in the description, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  这项发明涉及公式（I）的吡啶衍生物，其中A、R1、R2、R3、R4、R5、R6和R7如描述中所述，它们的制备以及它们作为药用活性化合物的用途。这些化合物特别作为免疫调节剂。
• Oxadiazole derivatives as S1P1 receptor agonists
  申请人：Almirall, S.A.

  公开号：EP2210890A1

  公开（公告）日：2010-07-28

  New compounds having the chemical structure of formula (I) or pharmaceutically acceptable salts or N-oxides thereof wherein A is selected from the group consisting of -N-, -O- and -S-; B and C independently are selected from the group consisting of -N- and -O-, with the proviso that at least two of A, B and C are nitrogen atoms; G1 is selected from the group consisting of nitrogen atoms and -CRC- groups, wherein RC represents a hydrogen atom, a halogen atom, a C1-4 alkyl group or a C1-4 alkoxy group; R1 is selected from the group consisting of hydrogen atoms, C1-4 alkyl groups, C1-4 alkoxy groups, C3-4 cycloalkyl groups, and -NRdRe groups wherein Rd and Re are independently selected from hydrogen atoms and C1-4 alkyl groups; R2 and R3 are independently selected from the group consisting of hydrogen atoms and C1-4 alkyl groups; R4, R5 and R7 are independently selected from the group consisting of hydrogen atoms, halogen atoms, C1-4 alkyl groups, C1-4 alkoxy groups and C1-4 haloalkyl groups; R6 represents a C1-4 alkyl group or a C1-4 hydroxyalkyl group; or R6 is selected from the group consisting of -S(O)2-NRaRb groups, -(CRfRg)n-(CRhRi)x-(CRjRk)y-NRaRb groups, -(CH2)n-NRaRb groups, -O-(CH2)n-NRaRb groups, -(CH2)n-COOH groups, -(CH2)n-NRa-CO-Rb' groups, -(CH2)n-NRa-(CH2)p-(NH)q-SO-CH3 groups and -(CH2)n-CO-NRaRb groups, wherein n, p, x and y are each independently integers from 0 to 3, q is 0 or 1, Rf, Rg, Rh, Ri, Rj and Rk independently represent hydrogen atoms or halogen atoms, Rb' is selected from the group consisting of methylsulphonyl groups, C1-4 alkyl groups, C1-4 hydroxyalkyl groups, C1-4 carboxyalkyl groups, and C1-4 haloalkyl groups; Ra and Rb are independently selected from the group consisting of hydrogen atoms, methylsulphonyl groups, C1-4 alkyl groups, C1-4 hydroxyalkyl groups, C1-4 carboxyalkyl groups, and C1-4 haloalkyl groups, or Ra and Rb together with the nitrogen atom to which they are attached form a 4 to 6 membered, saturated heterocyclic group, which contains, as heteroatoms, one or two nitrogen atoms and which is substituted by a carboxyl group or a C1-4 carboxyalkyl group; or Rc together with R6 form a C5-8 carbocyclic ring optionally substituted by - NHR' wherein R' represents a hydrogen atom or a 61-4 carboxyalkyl group.

  新化合物具有化学结构的公式(I)或其药学上可接受的盐或N-氧化物，其中 A选自由-N-，-O-和-S-组; B和C独立地选自- N-和-O-组，但至少两个A，B和C是氮原子; G1选自氮原子和-CRC-基团组，其中RC代表氢原子，卤素原子，C1-4烷基基团或C1-4烷氧基团; R1选自氢原子，C1-4烷基基团，C1-4烷氧基团，C3-4环烷基基团和-NRdRe基团，其中Rd和Re独立地选自氢原子和C1-4烷基基团; R2和R3独立地选自氢原子和C1-4烷基基团; R4，R5和R7独立地选自氢原子，卤素原子，C1-4烷基基团，C1-4烷氧基团和C1-4卤代烷基基团; R6代表C1-4烷基基团或C1-4羟基烷基基团; 或R6选自-S(O)2-NRaRb基团，-(CRfRg)n-(CRhRi)x-(CRjRk)y-NRaRb基团， -(CH2)n-NRaRb基团，-O-(CH2)n-NRaRb基团，-(CH2)n-COOH基团，-(CH2)n-NRa-CO-Rb'基团，-(CH2)n-NRa-(CH2)p-(NH)q-SO-CH3基团和-(CH2)n-CO-NRaRb基团，其中 n，p，x和y分别独立地为0到3的整数， q为0或1， Rf，Rg，Rh，Ri，Rj和Rk独立地代表氢原子或卤素原子， Rb'选自甲磺酰基团，C1-4烷基基团，C1-4羟基烷基基团，C1-4羧基烷基基团和C1-4卤代烷基基团组; Ra和Rb独立地选自氢原子，甲磺酰基团，C1-4烷基基团，C1-4羟基烷基基团，C1-4羧基烷基基团和C1-4卤代烷基基团，或 Ra和Rb与它们连接的氮原子一起形成一个含有4到6个成员的饱和杂环基团，其中作为杂原子，含有一个或两个氮原子，并且被羧基或C1-4羧基烷基基团取代; 或 Rc与R6一起形成一个C5-8碳环戊环，可选择地被-NHR'取代，其中R'代表氢原子或C1-4羧基烷基基团。
• New pyrazole derivatives
  申请人：Almirall, S.A.

  公开号：EP2390252A1

  公开（公告）日：2011-11-30

  The present invention relates to a compound of formula (I), to the process for preparing such compounds and to their use in the treatment of a pathological condition or disease susceptible to amelioration by sphingosine-1-phosphate receptors (S1P1) agonists.

  本发明涉及式(I)的化合物，其制备过程，以及它们在治疗可通过sphingosine-1-phosphate受体（S1P1）激动剂改善的病理状况或疾病中的用途。
• [EN] PYRIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIDINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009109906A1

  公开（公告）日：2009-09-11

  The invention relates to pyridine compounds, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  这项发明涉及吡啶化合物，它们的制备以及它们作为药用活性化合物的用途。这些化合物特别作为免疫调节剂。
• Pyridin-4-yl derivatives as immunomodulating agents
  申请人：Bolli Martin

  公开号：US20100063108A1

  公开（公告）日：2010-03-11

  The invention relates to pyridine derivatives of Formula (I) wherein A, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are as described in the description, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  该发明涉及公式（I）中的吡啶衍生物，其中A、R1、R2、R3、R4、R5和R6如描述中所述，它们的制备以及它们作为药用活性化合物的用途。所述化合物特别作为免疫调节剂。