(R)-2-Amino-N-(2-(1H-indol-3-yl)-1-{6-[2-(3-methyl-ureido)-phenyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl}-ethyl)-isobutyramide hydrochloride | 185055-98-5

• 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: (R)-2-Amino-N-(2-(1H-indol-3-yl)-1-{6-[2-(3-methyl-ureido)-phenyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl}-ethyl)-isobutyramide hydrochloride
• 英文别名: 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
• CAS: 185055-98-5
• 化学式: C₃₂H₃₆N₆O₃*ClH
• 分子量: 589.137
• InChiKey: YEVABESHTSKPKO-LNLSOMNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.36
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  132
• 氢给体数：
  6
• 氢受体数：
  4

文献信息

• Oxyiminoalkanoic acid derivatives
  申请人：——

  公开号：US20030186985A1

  公开（公告）日：2003-10-02

  To provide a novel oxyiminoalkanoic acid derivative which has excellent hypoglycemic and hypolipidemic actions and which is used for the prevention or treatment of diabetes mellitus, hyperlipemia, insulin insensitivity, insulin resistance and impaired glucose tolerance. A compound represented by the formula: 1 wherein R 1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; X is a bond, —CO—, —CH(OH)— or a group represented by —NR 6 — wherein R 6 is a hydrogen atom or an optionally substituted alkyl group; n is an integer of 1 to 3; Y is an oxygen atom, a sulfur atom, —SO—, —SO 2 — or a group represented by —NR 7 — wherein R 7 is a hydrogen atom or an optionally alkyl group; ring A is a benzene ring optionally having additional one to three substituents; p is an integer of 1 to 8; R 2 is a hydrogen atom, an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; q is an integer of 0 to 6; m is 0 or 1; R 3 is a hydroxy group, OR 8 (R 8 is an optionally substituted hydrocarbon group.) or NR 9 R 10 (R 9 and R 10 are the same or different groups which are selected from a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group or an optionally substituted acyl group or R 9 and R 10 combine together to form a ring); R 4 and R 5 are the same or different groups which are selected from a hydrogen atom or an optionally substituted hydrocarbon group wherein R 4 may form a ring with R 2 ; provided that when R 1 is a ethoxymethyl, a C 1-3 alkyl, phenyl or p-methoxyphenyl and q=m=0, R 3 is NR 9 R 10 ; and provided that O-[2-chloro-4-(2-quinolylmethoxy)phenylmethyl]oxime and a methylpyruvate of [2-chloro-4-(2-quinolylmethoxy)phenylmethyl]-2-iminoxypropionic acid are excluded; or a salt thereof.

  提供一种新型的氧亚胺基脂肪酸衍生物，具有优异的降血糖和降血脂作用，并用于预防或治疗糖尿病、高脂血症、胰岛素不敏感、胰岛素抵抗和糖耐量受损。该化合物的结构式为1，其中R1是可选取的取代的碳氢化合物基团或可选取的取代的杂环基团；X是键，-CO-，-CH（OH）-或由-NR6-表示的基团（其中R6是氢原子或可选取的取代的烷基基团）；n是1到3的整数；Y是氧原子、硫原子、-SO-，-SO2-或由-NR7-表示的基团（其中R7是氢原子或可选取的烷基基团）；环A是苯环，可选取具有1到3个附加取代基团；p是1到8的整数；R2是氢原子、可选取的取代的碳氢化合物基团或可选取的取代的杂环基团；q是0到6的整数；m是0或1；R3是羟基、OR8（其中R8是可选取的取代的碳氢化合物基团）或NR9R10（其中R9和R10是相同或不同的基团，选自氢原子、可选取的取代的碳氢化合物基团、可选取的取代的杂环基团或可选取的取代的酰基，或R9和R10结合形成环）；R4和R5是相同或不同的基团，选自氢原子或可选取的取代的碳氢化合物基团，其中R4可以与R2形成环；但当R1为乙氧甲基、C1-3烷基、苯基或对甲氧基苯基且q=m=0时，R3为NR9R10；且不包括O-[2-氯-4-(2-喹啉基甲氧基)苯甲基]肟和[2-氯-4-(2-喹啉基甲氧基)苯甲基]-2-亚氨基丙酸甲酯；或其盐。
• DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE
  申请人：PFIZER INC.

  公开号：EP0828754A1

  公开（公告）日：1998-03-18
• US5936089A
  申请人：——

  公开号：US5936089A

  公开（公告）日：1999-08-10
• US6924300B2
  申请人：——

  公开号：US6924300B2

  公开（公告）日：2005-08-02
• [EN] DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE<br/>[FR] DIPEPTIDES FAVORISANT LA SECRETION DE L'HORMONE DE CROISSANCE
  申请人：PFIZER INC.

  公开号：WO1996038471A1

  公开（公告）日：1996-12-05

  (EN) Compounds of formula (I) are growth hormone releasing peptide mimetics which are useful for the treatment and prevention of osteoporosis.(FR) L'invention se rapporte aux composés de la formule (I). Il s'agit de mimétiques des peptides favorisant la secrétion de l'hormone de croissance, qui sont utiles pour le traitement et la prévention de l'ostéoporose.