1,2,3,4-四氢-异喹啉-5-羧酸 | 1044764-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 中文名称: 1,2,3,4-四氢-异喹啉-5-羧酸
• 英文名称: 1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid
• 英文别名: 1,2,3,4-Tetrahydroisoquinolin-2-ium-5-carboxylate
• CAS: 1044764-16-0
• 化学式: C₁₀H₁₁NO₂
• mdl: MFCD10703577
• 分子量: 177.203
• InChiKey: UIVYUTLYDWQGPA-UHFFFAOYSA-N

物化性质

• 沸点：
  364.5±42.0 °C(Predicted)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  1,2,3,4-四氢-异喹啉-5-羧酸 、 methyl 5-chloro-2-(3-(chlorosulfonyl)benzamido)benzoate 在 N,N-二异丙基乙胺 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Discovery of a novel class of PPARδ partial agonists

  摘要：

  Anthranilic acid GW9371 was identified as a novel class of PPARdelta partial agonist through high-throughput screening. The design and synthesis of SAR analogues is described. GSK1115 and GSK7227 show potent partial agonism of the PPARdelta target genes CPT1a and PDK4 in skeletal muscle cells.

  DOI：

  10.1016/j.bmcl.2008.08.011

文献信息

• RHO KINASE INHIBITORS
  申请人：Bosanac Todd

  公开号：US20080161297A1

  公开（公告）日：2008-07-03

  Disclosed are novel substituted 2H-isoquinolin-1-one and 3H-quinazolin-4-one derivatives useful as inhibitors of Rho kinase and for treating a variety of diseases and disorders that are mediated or sustained through the activity of Rho kinase, including cardiovascular diseases, pharmaceutical compositions comprising such compounds, methods for using such compounds and processes for making such compounds.

  揭示了一种新颖的取代的2H-异喹啉-1-酮和3H-喹唑啉-4-酮衍生物，可用作Rho激酶的抑制剂，用于治疗通过Rho激酶活性介导或维持的各种疾病和疾病，包括心血管疾病，包含这些化合物的药物组合物，使用这些化合物的方法以及制备这些化合物的方法。
• Rho kinase inhibitors
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US10624882B2

  公开（公告）日：2020-04-21

  Disclosed are novel substituted 2H-isoquinolin-1-one and 3H-quinazolin-4-one derivatives useful as inhibitors of Rho kinase and for treating a variety of diseases and disorders that are mediated or sustained through the activity of Rho kinase, including cardiovascular diseases, pharmaceutical compositions comprising such compounds, methods for using such compounds and processes for making such compounds.

  所公开的是新型取代的 2H-isoquinolin-1-one 和 3H-quinazolin-4-one 衍生物，可作为 Rho 激酶的抑制剂，用于治疗通过 Rho 激酶的活性介导或维持的各种疾病和失调，包括心血管疾病；还公开了包含此类化合物的药物组合物、使用此类化合物的方法和制造此类化合物的工艺。
• US8809326B2
  申请人：——

  公开号：US8809326B2

  公开（公告）日：2014-08-19
• [EN] RHO KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA RHO-KINASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2008036540A2

  公开（公告）日：2008-03-27

  [EN] Disclosed are novel substituted 2H-isoquinolin-1-one and 3H-quinazolin-4-one derivatives useful as inhibitors of Rho kinase and for treating a variety of diseases and disorders that are mediated or sustained through the activity of Rho kinase, including cardiovascular diseases, pharmaceutical compositions comprising such compounds, methods for using such compounds and processes for making such compounds.
  [FR] L'invention concerne de nouveaux dérivés de 2H-isoquinolin-1-one et 3H-quinazolin-4-one substitués, utiles en tant qu'inhibiteurs de la rho-kinase ainsi que pour traiter divers troubles et maladies dont la médiation ou le prolongement est assuré par l'activité de la rho-kinase, y compris des maladies cardiovasculaires. L'invention concerne également des compositions pharmaceutiques comprenant de tels composés, des procédés pour utiliser de tels composés et des processus pour fabriquer de tels composés.
• [EN] TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY<br/>[FR] PEPTIDOMIMÉTIQUES FIXÉS AU BRIN MATRICE AYANT UNE ACTIVITÉ MODULATRICE DES CXCR7
  申请人：POLYPHOR AG

  公开号：WO2011095218A1

  公开（公告）日：2011-08-11

  Novel template-fixed β-hairpin peptidomimetics of the general formula (I) wherein the single elements T or P are α-amino acid residues connected from the carbonyl (C=O) point of attachment to the nitrogen (N) of the next element in clockwise direction and wherein said elements, depending on their positions in the chain, are defined in the description and the claims have the property to act on the receptor CXCR7. Thus, these β-hairpin peptidomimetics can be useful in the treatment or prevention of diseases or conditions in the area of dermatological disorders, metabolic diseases, inflammatory diseases, fibrotic diseases, infectious diseases, neurological diseases, cardiovascular diseases, respiratory diseases, gastro-intestinal tract disorders, urological diseases, ophthalmic diseases, stomatological diseases, haematological diseases and cancer; or the mobilisation of stem cells.