(S)-4-(1-BOC氨乙基)苯甲酸甲酯 | 847728-90-9

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (S)-4-(1-BOC氨乙基)苯甲酸甲酯
• 英文名称: (S)-methyl 4-(1-((tert-butoxycarbonyl)amino)ethyl)benzoate
• 英文别名: methyl (S)-4-(1-((tert-butoxycarbonyl)amino)ethyl)benzoate；methyl 4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
• CAS: 847728-90-9
• 化学式: C₁₅H₂₁NO₄
• 分子量: 279.336
• InChiKey: LFNXGVQOIUBOOG-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  (S)-4-(1-BOC氨乙基)苯甲酸甲酯 在 三甲基氯硅烷 作用下， 以 甲醇 为溶剂， 生成 4-[(1S)-1-氨基乙基]苯甲酸甲酯
  参考文献：
  名称：

  A novel series of potent and selective EP4 receptor ligands: Facile modulation of agonism and antagonism

  摘要：

  A novel series of EP4 ligands, based on a benzyl indoline scaffold, has been discovered. It was found that agonism and antagonism in this series can be easily modulated by minor modifications on the benzyl group. The pharmacokinetic, metabolic and pharmacological profiles of these compounds was explored. It was found that these compounds show good pharmacokinetics in rat and are efficacious in pre-clinical models of pain and inflammation. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.106
• 作为产物：
  描述：

  (S)-(-)-1-(4-溴苯)乙胺 在 palladium diacetate 、 1,3-双(二苯基膦)丙烷 三乙胺 作用下， 以 甲醇 、 DMF (N,N-dimethyl-formamide) 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 (S)-4-(1-BOC氨乙基)苯甲酸甲酯
  参考文献：
  名称：

  [EN] PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS
  [FR] COMPOSES DE PHENYLE OU DE PYRIDYLE AMIDE UTILES COMME ANTAGONISTES DE LA PROSTAGLANDINE E2

  摘要：

  这项发明提供了一个化合物的结构式(I)：其中A代表苯基或类似物：B代表芳基或类似物：E代表1,4-苯基基团；R1和R2独立地代表氢原子或类似物：R3和R4独立地代表氢原子或类似物：R5代表-CO2H或类似物：R6代表具有1至6个碳原子的烷基基团或类似物：X代表亚甲基基团或类似物。这些化合物对于治疗由前列腺素介导的疾病状况，如哺乳动物中的疼痛等，具有用处。这些化合物作为前列腺素E2受体的拮抗剂。这项发明还提供了包含上述化合物的药物组合物。

  公开号：

  WO2005021508A1

文献信息

• PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS
  申请人：Borriello Manuela

  公开号：US20130261100A1

  公开（公告）日：2013-10-03

  The invention relates pyridine amide derivative of Formula (I) or a pharmaceutically acceptable salt thereof, wherein R 1 and R 2 are independently hydrogen, linear o branched (C1-C3)alkyl or joined together they form a cyclopropyl ring; R is independently selected from the group consisting of halogens and trifluoromethyl and p is 1, 2 or 3; A is C or N; E is a group of formula (B) or (C), wherein B is C(O)OH, C(O)O(C1-C3)alkyl, and C is selected from the group consisting of formula (I) m is 1,2 or 3, n is 0 or 1, W is —O—, —O(C1-C3 alkyl)-; —(C1-C3 alkyl)O—; —C(O)—; —C(═N—O(C1-C3 alkyl))-; —NH— or —NH(C1-C3alkyl)-; Ar is phenyl, optionally substituted with one or more substituents selected from the group consisting of halogen, trifluoromethyl, trifluoromethoxy, methyl, —NH(C1-C3alkyl)-; —N(C1-C3alkyl)(C1-C3alkyl)-, a from 5 to 7 membered heterocyclic ring containing one nitrogen atom which is covalently bonded to Ar and optionally containing one or two heteroatoms selected from N, O and S; and a 5- or 6-membered heteroaromatic ring containing 1 to 3 heteroatoms selected from S, O e N, such heteroaromatic ring being substituted with one or two substituents selected from the group consisting of (C1-C3)alkyl, (C3-C5)cycloalkyloxy, (C1-C3)alkylcarbonyl. The compounds of the invention could be used for manufacturing a medicament for the treatment of pathologies which require the use of an antagonist of the EP4 receptor, such as the treatment of acute and chronic pain, inflammatory pain, osteoarthritis, inflammation-associated disorder as arthritis, rheumatoid arthritis, cancer, endometriosis and migraine.

  该发明涉及式(I)的吡啶酰胺衍生物或其药学上可接受的盐，其中R1和R2独立地为氢、直链或支链(C1-C3)烷基，或者它们结合在一起形成环丙基环；R独立地选自卤素和三氟甲基的群，p为1、2或3；A为C或N；E为式(B)或(C)的基团，其中B为C(O)OH、C(O)O(C1-C3)烷基，C选自式(I)的群，m为1、2或3，n为0或1，W为—O—、—O(C1-C3烷基)-、—(C1-C3烷基)O—、—C(O)—、—C(═N—O(C1-C3烷基))-、—NH—或—NH(C1-C3烷基)-；Ar为苯基，可选地取代一个或多个取代基，选自卤素、三氟甲基、三氟甲氧基、甲基、—NH(C1-C3烷基)-、—N(C1-C3烷基)(C1-C3烷基)-，a为含有一个氮原子的5至7元杂环，与Ar共价键合，可选地含有一个或两个来自N、O和S的杂原子；以及含有1至3个来自S、O和N的杂原子的5-或6元杂芳环，该杂芳环被选自(C1-C3)烷基、(C3-C5)环烷氧基、(C1-C3)烷基羰基的一或两个取代基取代。该发明的化合物可用于制造用于治疗需要使用EP4受体拮抗剂的病理病变的药物，例如治疗急性和慢性疼痛、炎症性疼痛、骨关节炎、与炎症相关的疾病如关节炎、类风湿性关节炎、癌症、子宫内膜异位症和偏头痛。
• [EN] PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRIDINAMIDE EN TANT QU'ANTAGONISTES DE RÉCEPTEUR EP4
  申请人：ROTTAPHARM SPA

  公开号：WO2012076063A1

  公开（公告）日：2012-06-14

  The invention relates pyridine amide derivative of Formula (I) or a pharmaceutically acceptable salt thereof, wherein R1 and R2 are independently hydrogen, linear o branched (C1-C3)alkyl or joined together they form a cyclopropyl ring; R is independently selected from the group consisting of halogens and trifluoromethyl and p is 1, 2 or 3; A is C or N; E is a group of formula (B) or (C), wherein B is C(O)OH, C(O)O(C1-C3)alkyl, and C is selected from the group consisting of formula (I) m is 1,2 or 3, n is 0 or 1, W is -O-, -O(C1-C3 alkyl)-; -(C1-C3 alkyl)O-; -C(O)-; -C(=N-O(C1-C3 alkyl))-; -NH- or -NH(C1-C3alkyl)-; Ar is phenyl, optionally substituted with one or more substituents selected from the group consisting of halogen, trifluoromethyl, trifluoromethoxy, methyl, -NH(C1-C3alkyl)-; -N(C1-C3alkyl)(C1-C3alkyl)-, a from 5 to 7 membered heterocyclic ring containing one nitrogen atom which is convalently bonded to Ar and optionally containing one or two heteroatoms selected from N, O and S; and a 5- or 6-membered heteroaromatic ring containing 1 to 3 heteroatoms selected from S, O e N, such heteroaromatic ring being substituted with one or two substituents selected from the group consisting of (C1-C3)alkyl, (C3-C5)cycloalkyloxy, (C1-C3)alkylcarbonyl. The compounds of the invention could be used for manufacturing a medicament for the treatment of pathologies which require the use of an antagonist of the EP4 receptor, such as the treatment of acute and chronic pain, inflammatory pain, osteoarthritis, inflammation-associated disorder as arthritis, rheumatoid artrhritis, cancer, endometriosis and migraine.

  该发明涉及式(I)的吡啶酰胺衍生物或其药学上可接受的盐，其中R1和R2独立地为氢、直链或支链(C1-C3)烷基，或者它们结合在一起形成环丙基环；R独立地选自卤素和三氟甲基的群，p为1、2或3；A为C或N；E为式(B)或(C)的基团，其中B为C(O)OH、C(O)O(C1-C3)烷基，C选自式(I)的群，m为1、2或3，n为0或1，W为-O-、-O(C1-C3烷基)-、-(C1-C3烷基)O-、-C(O)-、-C(=N-O(C1-C3烷基))-、-NH-或-NH(C1-C3烷基)-；Ar为苯基，可选择地取代一个或多个取代基，选自卤素、三氟甲基、三氟甲氧基、甲基、-NH(C1-C3烷基)-、-N(C1-C3烷基)(C1-C3烷基)-，a为含有一个氮原子的5至7元杂环环，与Ar共价键合，可选择地含有一个或两个来自N、O和S的杂原子；以及含有1至3个来自S、O和N的杂原子的5-或6元杂芳环，该杂芳环被选自(C1-C3)烷基、(C3-C5)环烷氧基、(C1-C3)烷基羰基的一或两个取代基取代。该发明的化合物可用于制造用于治疗需要使用EP4受体拮抗剂的病理的药物，例如治疗急性和慢性疼痛、炎症性疼痛、骨关节炎、关节炎、类风湿性关节炎、癌症、子宫内膜异位症和偏头痛。
• [EN] SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS<br/>[FR] COMPOSES METHYLARYL- OU HETEROARYLAMIDES SUBSTITUES
  申请人：PFIZER JAPAN INC

  公开号：WO2005105732A1

  公开（公告）日：2005-11-10

  This invention provides a compound of the formula (I), wherein X represents a carbon atom or the like: Y represents imino, or the like: R1 represents an alkyl group having from 1 to 6 carbon atoms or the like: R2 and R3 independently represents a hydrogen atom or the like. These compounds are useful for the treatment of disease conditions mediated by prostaglandin such as pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了一种化合物，其化学式为（I），其中X代表碳原子或类似物：Y代表亚胺基或类似物：R1代表具有1至6个碳原子的烷基基团或类似物：R2和R3独立地代表氢原子或类似物。这些化合物对于治疗由前列腺素介导的疾病状况，如哺乳动物中的疼痛等，具有用处。本发明还提供了包括上述化合物的药物组合物。
• 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH
  申请人：VESTAS WIND SYSTEMS A/S

  公开号：US20140235620A1

  公开（公告）日：2014-08-21

  The invention is directed to a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R 1 -R 6 are defined herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  该发明涉及公式（I）的化合物或其药用盐，其中R1-R6在此处定义。该发明还涉及含有公式（I）化合物的组合物，以及利用这些化合物抑制具有新型活性的突变IDH蛋白。该发明还涉及利用公式（I）的化合物治疗与这些突变IDH蛋白相关的疾病或紊乱，包括但不限于细胞增殖紊乱，如癌症。
• [EN] PHENOXYETHYL PIPERIDINE COMPOUNDS<br/>[FR] COMPOSÉS PHÉNOXYÉTHYL PIPÉRIDINE
  申请人：LILLY CO ELI

  公开号：WO2014004229A1

  公开（公告）日：2014-01-03

  The present invention provides a compound of the Formula II: Formula II wherein X is: R1 is H, -CN, or F; R2 is H or methyl; R3 is H; and R4 is H, methyl, or ethyl; or R3 and R4 joined together form a cyclopropyl ring; or a pharmaceutically acceptable salt thereof.

  本发明提供了一种化合物，其化学式为II：其中X为：R1为H，-CN或F；R2为H或甲基；R3为H；R4为H，甲基或乙基；或者R3和R4结合在一起形成一个环丙基环；或其药用盐。