Methyl 2-(2-(tert-butoxycarbonylamino)ethoxy)-5-(N'-hydroxycarbamimidoyl) benzoate | 1334481-36-5

• 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: Methyl 2-(2-(tert-butoxycarbonylamino)ethoxy)-5-(N'-hydroxycarbamimidoyl) benzoate
• 英文别名: methyl 5-(N'-hydroxycarbamimidoyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoate
• CAS: 1334481-36-5
• 化学式: C₁₆H₂₃N₃O₆
• 分子量: 353.375
• InChiKey: QBLNMXWNWNKBFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  133
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] NEW OXADIAZOLE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'OXADIAZOLE
  申请人：ALMIRALL SA

  公开号：WO2011113578A1

  公开（公告）日：2011-09-22

  The present invention relates to an oxadiazole derivative of formula (I)1 or a pharmaceutically acceptable salt or N-oxide thereof: wherein, R1 represents a hydrogen atom, a C1-2 alkyl group or a C3-4 cycloalkyl-C1-2 alkyl group, both R2 and R3 represent a C1-2 alkyl group; Ra represents a hydrogen atom or a C1-2 alkyl group; Rb represents a hydrogen atom, a C1-2 alkyl group, a C3-4, cycloalkyl group, a carboxy group, a carbamoyl group or a -CF3 group; Rc represents a linear or branched C2.5 alkyl group substituted with one substituent selected from a hydroxy group, a triazolyl group and a -P(O)(OH)2 group; a -(CH2)(1-2)-C(O)OR' group; a -NR'R" group; a -(CH2)(1-2NR'R" group; a -(CH2)(1-2)-NHC(O)R" group; a -(CH2)(2-4)NH-(CH2)(1-3)-NR'R" group; or a -O-(CH2)(2-3)NR'R" group, wherein: R' represents a hydrogen atom or a C1-2 alkyl group, R" represents a hydrogen atom; a C5-6 cycloalkyl group substituted with a carboxy group; a 5- to 6-membered saturated heterocyclic ring containing one nitrogen atom and substituted with a carboxy(C1-2alkyl) group; or a C1-2 alkyl group optionally substituted by one or more substituents selected from halogen atoms, hydroxy groups, methyl groups, amino groups, carbamoyl groups and carboxy groups; or R' and R" together with the nitrogen atom to which they are attached form (a) a 4 to 6 membered saturated or unsaturated heterocyclic group, which contains, as heteroatom, one N atom and, optionally, one further N atom and which heterocyclic group is substituted with one or more substituents selected from a halogen atom, a hydroxy group, a methyl group, an oxy group and a carboxy group, or (b) a 5 membered heteroaryl group which contains, as heteroatom, one N atom and, optionally, one or more further N atoms and which heteroaryl group is optionally substituted with one substituent selected from an amino group and a carboxy group.

  本发明涉及式(I)1的噁二唑衍生物或其药用盐或N-氧化物：其中，R1表示氢原子，C1-2烷基或C3-4环烷基-C1-2烷基；R2和R3都表示C1-2烷基；Ra表示氢原子或C1-2烷基；Rb表示氢原子，C1-2烷基，C3-4环烷基，羧基，脒基或- CF3基；Rc表示用羟基，三唑基和-O-(OH)2基中选择的一个取代基取代的直链或支链C2.5烷基；-(CH2)(1-2)-C(O)OR'基；-NR'R"基；-( )(1-2)NR'R"基；-( )(1-2)-NHC(O)R"基；-( )(2-4)NH-( )(1-3)-NR'R"基；或-O-( )(2-3)NR'R"基，其中：R'表示氢原子或C1-2烷基，R"表示氢原子；用羧基取代的C5-6环烷基；含有一个氮原子并用羧基(C1-2烷基)基团取代的5至6元饱和杂环；或用卤素原子，羟基，甲基，氨基，脒基和羧基中选择的一个或多个取代基取代的C1-2烷基；或R'和R"与它们连接的氮原子一起形成(a)含有一个N原子和一个或多个N原子的4至6元饱和或非饱和杂环，该杂环被卤素原子，羟基，甲基，氧基和羧基中的一个或多个取代基取代，或(b)含有一个N原子和一个或多个N原子的5元杂芳基，该杂芳基可被氨基和羧基中的一个取代基取代。
• New oxadiazole derivatives
  申请人：Almirall, S.A.

  公开号：EP2366702A1

  公开（公告）日：2011-09-21

  The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or N-oxide thereof: and its use in the treatment of diseases which are susceptible to improvement by sphingosine-1-phosphate (S1P1) receptor agonists.

  本发明涉及式(I)的化合物，或其药用可接受的盐或N-氧化物： 及其用于治疗可以通过鞘氨醇-1-磷酸(S1P1)受体激动剂改善的疾病。