(2R)-3-{(2S)-4-[((4S,5S)-2-methyl-5-phenyl(1,3-oxazolin-4-yl))methyl]-2-methylpiperazinyl}-1-(2-methylbenzothiazol-5-yloxy)propan-2-ol | 737790-66-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (2R)-3-{(2S)-4-[((4S,5S)-2-methyl-5-phenyl(1,3-oxazolin-4-yl))methyl]-2-methylpiperazinyl}-1-(2-methylbenzothiazol-5-yloxy)propan-2-ol
• 英文别名: (2R)-1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[(2S)-2-methyl-4-[[(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
• CAS: 737790-66-8
• 化学式: C₂₇H₃₄N₄O₃S
• 分子量: 494.658
• InChiKey: WYBNQHKLNYXBMH-QYPPXXJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  98.7
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• [EN] SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES<br/>[FR] COMPOSES HETEROCYCLIQUES SUBSTITUES UTILES POUR LE TRAITEMENT DE MALADIES CARDIO-VASCULAIRES
  申请人：CV THERAPEUTICS INC

  公开号：WO2004069818A1

  公开（公告）日：2004-08-19

  wherein: a.o. T is oxygen, sulfur, or NR11 , in which R11 is hydrogen or lower alkyl; V is -N<, -CH<, or -NH-CH<; X1 is hydrogen, optionally substituted lower alkyl, optionally substituted cycloalkyl, optionally substituted aryl, or optionally substituted heteroaryl; X2 is optionally substituted aryl or optionally substituted heteroaryl; Y is optionally substituted dihydroheteroarcyl; and Z1 and Z2 are independently optionally substituted alkylene of 1-4 carbon atoms, useful for the treatment of various disease states, in particular cardiovascular diseases such as atrial and ventricular arrhythmias, intermittent claudication, Prinzmetal’s (variant) angina, stable and unstable angina, exercise induced angina, congestive heart disease, and myocardial infarction. The compounds are also useful in the treatment of diabetes.

  其中：a.o. T是氧、硫或NR11，其中R11是氢或较低的烷基；V是-N<，-CH<或-NH-CH<；X1是氢，可选择取代的较低烷基，可选择取代的环烷基，可选择取代的芳基或可选择取代的杂芳基；X2是可选择取代的芳基或可选择取代的杂芳基；Y是可选择取代的二氢杂芳基；Z1和Z2分别是1-4个碳原子的可选择取代的烷基，用于治疗各种疾病状态，特别是心血管疾病，如心房和心室心律失常、间歇性跛行、普林兹梅塔（变异）心绞痛、稳定和不稳定心绞痛、运动诱发性心绞痛、充血性心脏病和心肌梗死。这些化合物还可用于治疗糖尿病。
• Substituted heterocyclic compounds
  申请人：——

  公开号：US20040186109A1

  公开（公告）日：2004-09-23

  Disclosed are novel heterocyclic derivatives, useful for the treatment of various disease states, in particular cardiovascular diseases such as atrial and ventricular arrhythmias, intermittent claudication, Prinzmetal's (variant) angina, stable and unstable angina, exercise induced angina, congestive heart disease, and myocardial infarction. The compounds are also useful in the treatment of diabetes.

  本发明涉及新型杂环衍生物，可用于治疗各种疾病状态，特别是心血管疾病，如心房和心室心律失常、间歇性跛行、普林兹梅特尔（变异性）心绞痛、稳定和不稳定性心绞痛、运动诱发性心绞痛、充血性心力衰竭和心肌梗塞。该化合物还可用于治疗糖尿病。
• SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES
  申请人：CV THERAPEUTICS, INC.

  公开号：EP1583751A1

  公开（公告）日：2005-10-12
• US7026321B2
  申请人：——

  公开号：US7026321B2

  公开（公告）日：2006-04-11