十氢异喹啉-3-甲酸 | 82717-30-4

• 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
• 中文名称: 十氢异喹啉-3-甲酸
• 英文名称: decahydro-3-isoquinolinecarboxylic acid
• 英文别名: decahydroisoquinoline-3-carboxylic acid；decahydroisoquinoline-3(S)-carboxylic acid；D-perhydro-3-isoquinolinecarboxylic acid；8a-decahydroisoquinoline-3-carboxylic acid；1,2,3,4,4a,5,6,7,8,8a-decahydro-3-isoquinolinecarboxylic acid；tetrahydroisoquinoline-(S)-3-carboxylic acid；tetrahydroisoquinoline-3(S)-carboxylic acid；tetrahydro-3-isoquinolinecarboxylic acid；tetrahydroisoquinoline-3-carboxylic acid；L-decahydroisoquinoline-3-carboxylic acid；cis-3-carboxydecahydroisoquinoline；3-carboxyperhydroisoquinoline；1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-3-carboxylate
• CAS: 82717-30-4
• 化学式: C₁₀H₁₇NO₂
• mdl: MFCD03840874
• 分子量: 183.25
• InChiKey: NSENYWQRQUNUGD-UHFFFAOYSA-N

物化性质

• 沸点：
  333.4±25.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  十氢异喹啉-3-甲酸 生成 (3S,4aS,8aS)-2-phenylmethoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid;cyclohexanamine
  参考文献：
  名称：

  Amino acid derivatives

  摘要：

  具有以下分子式##STR1##的化合物，其中R为苄氧羰基或2-喹啉基羰基，及其药用酸盐可以抑制病毒来源的蛋白酶，并可用作哺乳动物、人类或非人类的预防或治疗病毒感染的药物。

  公开号：

  US05196438A1
• 作为产物：
  描述：

  (S)-(-)-1,2,3,4-四氢异喹啉-3-羧酸 以65的产率得到十氢异喹啉-3-甲酸
  参考文献：
  名称：

  Amino acid derivatives

  摘要：

  具有以下分子式##STR1##的化合物，其中R为苄氧羰基或2-喹啉基羰基，及其药用酸盐可以抑制病毒来源的蛋白酶，并可用作哺乳动物、人类或非人类的预防或治疗病毒感染的药物。

  公开号：

  US05196438A1

文献信息

• Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists
  申请人：——

  公开号：US20020065391A1

  公开（公告）日：2002-05-30

  The present invention relates to compounds of the formula I 1 which are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 which belongs to the group of integrins. The invention also relates to processes for their preparation, to the use of compounds of the formula I for the treatment or prophylaxis of diseases which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or which are associated therewith or in which cell-cell or cell-matrix interactions which are based on interactions of VLA-4 receptors with their ligands play a part, for example of inflammatory processes, of rheumatoid arthritis or of allergic disorders, and also to the use of compounds of the formula I for the production of pharmaceuticals for use in such diseases, and to pharmaceutical preparations which contain the compounds of the formula I.

  本发明涉及式I的化合物，该化合物是白细胞粘附和迁移的抑制剂和/或属于整合素群的粘附受体VLA-4的拮抗剂。该发明还涉及它们的制备方法，化合物式I用于治疗或预防由于白细胞粘附和/或白细胞迁移的不良程度引起的疾病，或与之相关的疾病，或基于VLA-4受体与其配体相互作用而发挥作用的细胞-细胞或细胞-基质相互作用的疾病，例如炎症过程、类风湿关节炎或过敏性疾病，以及化合物式I用于生产用于此类疾病的药物，以及含有化合物式I的药物制剂。
• 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040220148A1

  公开（公告）日：2004-11-04

  Compounds of the formula I 1 in which B, D, E, R, W, Y, Z, b, c, d, e, f, g and h have the meanings indicated in the claims, are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 which belongs to the group of integrins. The invention relates to the use of compounds of the formula I and of pharmaceutical preparations which contain such compounds for the treatment and prophylaxis of diseases which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or which are associated therewith or in which cell-cell or cell-matrix interactions which are based on interactions of VLA-4 receptors with their ligands play a part, for example of inflammatory processes, of rheumatoid arthritis or of allergic disorders, and it also relates to the use of compounds of the formula I for the production of pharmaceuticals for use in such diseases. It further relates to novel compounds of the formula I.

  公式I中B、D、E、R、W、Y、Z、b、c、d、e、f、g和h具有索引中指示的含义，是白细胞粘附和迁移的抑制剂和/或属于整合素群的粘附受体VLA-4的拮抗剂。本发明涉及公式I化合物的使用以及含有这种化合物的药物制剂，用于治疗和预防由白细胞粘附和/或白细胞迁移的不良程度引起的疾病，或与之相关的疾病，或基于VLA-4受体与其配体相互作用的细胞-细胞或细胞-基质相互作用在其中起作用的炎症过程、类风湿关节炎或过敏性疾病等，还涉及公式I化合物用于生产用于治疗此类疾病的药物。此外，还涉及公式I的新化合物。
• [EN] MELANOCORTIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RECEPTEUR DE LA MELANOCORTINE
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2005047251A1

  公开（公告）日：2005-05-26

  The present invention relates a compound of formula 1, and pharmaceutically acceptable salt, hydrate, solvate, or isomer thereof effective as agonist of melanocortin receptor, and an agonistic composition of melanocortin receptor comprising the same as active ingredient.

  本发明涉及一种具有式1的化合物，以及作为黑色素皮质素受体激动剂的药用可接受盐、水合物、溶剂合物或其异构体，以及包含该化合物作为活性成分的黑色素皮质素受体激动剂组合物。
• [EN] MELANOCORTIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE LA MÉLANOCORTINE
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2005047253A1

  公开（公告）日：2005-05-26

  The present invention relates a compound of formula 1, and pharmaceutically acceptable salt, hydrate, solvate, or isomer thereof effective as agonist of melanocortin receptor, and an agonistic composition of melanocortin receptor comprising the same as active ingredient.

  本发明涉及一种化合物1的公式，以及作为黑色素皮质素受体激动剂的药用盐、水合物、溶剂合物或同分异构体，以及包含该化合物作为活性成分的黑色素皮质素受体激动剂组合物。
• [EN] CANNABINOID RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RÉCEPTEUR DE CANNABINOÏDES
  申请人：7TM PHARMA AS

  公开号：WO2009074782A1

  公开（公告）日：2009-06-18

  Compounds of formula (I) are modulators of cannabinoid receptor CB1, useful inter alia for treatment of obesity: Formula (I). Wherein:X is a bond, or a divalent radical selected from -C(R10)(R11)-*, -C(R10)(R11)-O-*, -C(R10)(R11)CH2-*, -C(R10)(R11)CH2-O-*, -CH2C(R10)(R11)-*, -CH2C(R10)(R11) -O-*. and -CH2-O-C(R10)(R11)-*, wherein the bond indicated by an asterisk is attached to the pyrazole ring; Z is a carboxyl isostere radical selected from the group specified; R3 is hydrogen, (C1-C)aIkyI or (C1C3)fluoroalkyl; R4 is a radical of formula -(AIk1)P-(Q1)r (L)s -Q2 wherein p, r, s, AIk1, L, Q1 and Q2 are as specified; or R3 and R4 taken together with the nitrogen to which they are attached form a cyclic amino ring of 4 to 7 ring atoms which is optionally substituted by a radical of formula -(L)s-Q2 wherein s, L and Q2 are as defined above, or by an optional substituent selected from hydroxy, methoxy, -NH2-, or mono- or di-(C1C3)alkylamino; R5, R6, R7 and R8 are each independently selected from hydrogen -F, -Cl, -Br, -CN, (C1-C3)alkyl, (C1C3)fluoroalkyl, cyclopropyl, and -OR9; R10 is hydrogen, (C1C3)alkyl, hydroxyl or NH2, and R11 is hydrogen or (C1-C3)alkyl; or R10 and R11 taken together with the carbon atom to which they are attached form a (C3-C5)cycloalkyl ring.

  式(I)的化合物是大麻素受体CB1的调节剂，可用于治疗肥胖：式(I)。其中：X是一个键，或者从-C(R10)(R11)-*、-C(R10)(R11)-O-*、-C(R10)(R11)CH2-*、-C(R10)(R11)CH2-O-*、-CH2C(R10)(R11)-*、-CH2C(R10)(R11) -O-*中选择的二价基团。和-CH2-O-C(R10)(R11)-*，其中星号表示连接到吡唑环的键；Z是从指定组中选择的羧基异构基团；R3是氢、(C1-C)aIkyI或(C1C3)氟烷基；R4是式-(AIk1)P-(Q1)r(L)s-Q2的基团，其中p、r、s、AIk1、L、Q1和Q2如指定；或者R3和R4与它们连接的氮一起形成一个含有4至7个环原子的环氨基环，该环可选地被式-(L)s-Q2中的基团或上述定义的s、L和Q2定义的基团取代，或者通过一个可选的取代基团选择自羟基、甲氧基、-NH2-或单或双-(C1C3)烷基胺；R5、R6、R7和R8分别独立地选择自氢、-F、-Cl、-Br、-CN、(C1-C3)烷基、(C1C3)氟烷基、环丙基和-OR9；R10是氢、(C1C3)烷基、羟基或NH2，R11是氢或(C1-C3)烷基；或者R10和R11与它们连接的碳原子一起形成一个(C3-C5)环烷基环。