3-[N'-(cyclopentyl-α-hydroxyacetyl)-L-alaninyl]-amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one | 209995-99-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[N'-(cyclopentyl-α-hydroxyacetyl)-L-alaninyl]-amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
• 英文别名: (2S)-2-[(2-cyclopentyl-2-hydroxyacetyl)amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide
• CAS: 209995-99-3
• 化学式: C₂₆H₃₀N₄O₄
• 分子量: 462.549
• InChiKey: SGHJWAQXEOCKIQ-BPURVQTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020045747A1

  公开（公告）日：2002-04-18

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  公开了抑制β-淀粉样肽释放和/或其合成的化合物，因此可用于治疗阿尔茨海默病。还公开了包含抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物，以及使用这些药物组合物预防性和治疗性治疗阿尔茨海默病的方法。
• [EN] ANTI-INFLAMMATORY TYROSINE DERIVATIVES<br/>[FR] DERIVES ANTI-INFLAMMATOIRES DE TYROSINE
  申请人：CELLTECH THERAPEUTICS LIMITED

  公开号：WO1998054207A1

  公开（公告）日：1998-12-03

  (EN) Tyrosine derivatives of formula (1) are described in which R is (1) a group R1X1- where R1 is an optionally substituted alkyl or aromatic group, and X1 is a covalent bond or a -(CH2)n- [where n is an integer 1 or 2], -C(O)-, -CH2C(O)-, -NHC(O)-, -CH2NHC(O)-, or -SO2- group, or (2) a group (Hal1)3CSO2-, where Hal1 is a fluorine or chlorine atom; R2 and R3, which may be the same or different, is each a hydrogen or halogen atom or an alkyl, alkoxy, hydroxyl or nitro group; Alk is an alkylene chain; m is zero or an integer 1; R4 is a hydrogen atom or a methyl group; R5 is a group -(CH2)pCO2R8 where p is zero or an integer 1 and R8 is a hydrogen atom or an alkyl group; R6 is a hydrogen atom or an alkyl group; Y is a sulphur atom or a -S(O)q- group where q is an integer 1 or 2; X2 is a -C(O)-, -C(O)O-, -CONH- ou -S(O)2- group; R7 is an optionally substituted alkyl group or an aryl or aralkyl group; and the salts, solvates and hydrates thereof. The compounds are able to inhibit the binding of $g(a)4 integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders.(FR) Dérivés de tyrosine représentés par la formule (1) dans laquelle: R représente (1) un groupe R1X1- dans laquelle R1 représente un groupe alkyle éventuellement substitué ou un groupe aromatique et X1 représente une liaison covalente ou un groupe -(CH2)n- [dans laquelle n est un entier 1 ou 2], -C(O)-, -CH2C(O)-, -NHC(O)-, CH2NHC(O)-, ou -SO2-, ou (2) un groupe (Hal1)3CSO2-, dans laquelle Hal1 représente un atome de fluor ou de chlore; R2 et R3, qui peuvent être semblables ou différents, représentent chacun un atome d'hydrogène ou d'halogène ou un groupe alkyle, alkoxy, hydroxyle ou nitro; Alk représente une chaîne alkylène; m est zéro ou un entier égal à 1; R4 représente un atome d'hydrogène ou un groupe méthyle; R5 représente un groupe -(CH2)pCO2R8 dans laquelle p est zéro ou un entier égal à 1 et R8 représente un atome d'hydrogène ou un groupe alkyle; R6 représente un atome d'hydrogène ou un groupe alkyle; Y représente un atome de soufre ou un groupe -S(O)q- dans laquelle q est un entier égal à 1 ou 2; X2 représente un groupe -C(O)-, -C(O)O-, -CONH- ou -S(O)2; R7 représente un groupe alkyle éventuellement substitué ou un groupe aryle ou aralkyle, ainsi que leurs sels, solvates et hydrates. Ces composés sont capables d'inhiber la fixation des intégrines $g(a)4 à leurs ligands et sont utiles pour la prophylaxie et le traitement de maladies immunes et inflammatoires.

  (中) 描述了式(1)中的酪氨酸衍生物，其中R为(1) R1X1-基团，其中R1为可选取代的烷基或芳香基团，X1为共价键或-(CH2)n- [其中n为整数1或2]，-C(O)-，- C(O)-，-NHC(O)-，- NHC(O)-或-SO2-基团，或(2) (Hal1)3CSO2-基团，其中Hal1为氟或氯原子；R2和R3，可以相同也可以不同，分别为氢或卤素原子或烷基，烷氧基，羟基或硝基基团；Alk为烷基链；m为零或整数1；R4为氢原子或甲基基团；R5为-( )pCO2R8基团，其中p为零或整数1，R8为氢原子或烷基基团；R6为氢原子或烷基基团；Y为硫原子或-S(O)q-基团，其中q为整数1或2；X2为-C(O)-，-C(O)O-，-CONH-或-S(O)2-基团；R7为可选取代的烷基或芳基或芳基烷基，以及其盐，溶剂和水合物。这些化合物能够抑制α4整合素与其配体的结合，可用于预防和治疗免疫或炎症性疾病。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020173504A1

  公开（公告）日：2002-11-21

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及抑制&bgr;-淀粉样肽的释放和/或合成的化合物，因此具有治疗阿尔茨海默病的效用。还公开了包含抑制&bgr;-淀粉样肽释放和/或合成的化合物的药物组合物，以及使用这种药物组合物预防和治疗阿尔茨海默病的方法。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-Amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020111343A1

  公开（公告）日：2002-08-15

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及一种抑制β-淀粉样肽释放和/或合成的化合物，因此具有治疗阿尔茨海默病的效用。本发明还涉及包含抑制β-淀粉样肽释放和/或合成的化合物的制药组合物，以及使用这种制药组合物预防和治疗阿尔茨海默病的方法。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20040058900A1

  公开（公告）日：2004-03-25

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及一种抑制β-淀粉样肽的释放和/或合成的化合物，因此在治疗阿尔茨海默病方面具有用途。本发明还涉及包含抑制β-淀粉样肽释放和/或合成的化合物的制药组合物，以及使用这种制药组合物预防和治疗阿尔茨海默病的方法。