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95635-55-5 分子结构
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N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide

ChemBase编号:128
分子式:C24H33N3O4
平均质量:427.53652
单一同位素质量:427.24710655
SMILES和InChIs

SMILES:
OC(CN1CCN(CC1)CC(=O)Nc1c(cccc1C)C)COc1c(OC)cccc1
Canonical SMILES:
COc1ccccc1OCC(CN1CCN(CC1)CC(=O)Nc1c(C)cccc1C)O
InChI:
InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
InChIKey:
XKLMZUWKNUAPSZ-UHFFFAOYSA-N

引用这个纪录

CBID:128 http://www.chembase.cn/molecule-128.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
IUPAC传统名
@ranolazine
ranolazine
商标名
Ranexa
别名
(-)-Ranolazine
Ranolazine 2HCl
Ranolazine Dihydrochloride
ranolazine
Ranolazine
N-(2,6-Dimethylphenyl)-2-(4-(2-hydroxy-3-(2-methoxy-phenoxy)propyl)piperazin-1-yl)acetamide
N-(2,6-Dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazineacetamide
(+/-))-Ranolazine
CVT 303
RS 43285-003
N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
Ranexa
N-(2,6-Dimethylphenyl)-2-(4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)piperazin-1-yl)acetamide
Renexa
CAS号
95635-55-5
142387-99-3
MDL号
MFCD00864690
PubChem SID
160963591
46505145
PubChem CID
56959

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 13.600031  质子受体
质子供体 LogD (pH = 5.5) 1.1640991 
LogD (pH = 7.4) 2.633176  Log P 2.8324604 
摩尔折射率 123.4604 cm3 极化性 47.363354 Å3
极化表面积 74.27 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 2.08  LOG S -3.59 
溶解度 1.10e-01 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
Chloroform expand 查看数据来源
DMSO expand 查看数据来源
Methanol expand 查看数据来源
Very slightly soluble expand 查看数据来源
外观
White Solid expand 查看数据来源
熔点
119-120°C expand 查看数据来源
疏水性(logP)
1.012 expand 查看数据来源
1.6 expand 查看数据来源
保存条件
-20°C expand 查看数据来源
-20°C Freezer expand 查看数据来源
保存注意事项
IRRITANT expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
TSCA收录
false expand 查看数据来源
纯度
95% expand 查看数据来源
95+% expand 查看数据来源
97% expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Selleck Chemicals Selleck Chemicals TRC TRC
DrugBank -  DB00243 external link
Item Information
Drug Groups approved; investigational
Description Ranolazine is an antianginal medication. On January 31, 2006, ranolazine was approved for use in the United States by the FDA for the treatment of chronic angina. [Wikipedia]
Indication For the treatment of chronic angina. It should be used in combination with amlodipine, beta-blockers or nitrates.
Pharmacology Ranolazine has antianginal and anti-ischemic effects that do not depend upon reductions in heart rate or blood pressure. It is the first new anti-anginal developed in over 20 years.
Toxicity In the event of overdose, the expected symptoms would be dizziness, nausea/vomiting, diplopia, paresthesia, and confusion. Syncope with prolonged loss of consciousness may develop.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic, metabolized mainly by CYP3A and to a lesser extent by CYP2D6. The pharmacologic activity of the metabolites has not been well characterized.
Absorption Absorption is highly variable. After oral administration of ranolazine as a solution, 73% of the dose is systemically available as ranolazine or metabolites. The bioavailability of oral ranolazine relative to that from a solution is 76%.
Half Life 7 hours
Protein Binding 62%
Elimination Ranolazine is metabolized rapidly and extensively in the liver and intestine; less than 5% is excreted unchanged in urine and feces.
References
Hale SL, Kloner RA: Ranolazine, an inhibitor of the late sodium channel current, reduces postischemic myocardial dysfunction in the rabbit. J Cardiovasc Pharmacol Ther. 2006 Dec;11(4):249-55. [Pubmed]
Fraser H, Belardinelli L, Wang L, Light PE, McVeigh JJ, Clanachan AS: Ranolazine decreases diastolic calcium accumulation caused by ATX-II or ischemia in rat hearts. J Mol Cell Cardiol. 2006 Dec;41(6):1031-8. Epub 2006 Oct 5. [Pubmed]
Stone PH, Gratsiansky NA, Blokhin A, Huang IZ, Meng L: Antianginal efficacy of ranolazine when added to treatment with amlodipine: the ERICA (Efficacy of Ranolazine in Chronic Angina) trial. J Am Coll Cardiol. 2006 Aug 1;48(3):566-75. Epub 2006 Jun 15. [Pubmed]
Chaitman BR, Pepine CJ, Parker JO, Skopal J, Chumakova G, Kuch J, Wang W, Skettino SL, Wolff AA: Effects of ranolazine with atenolol, amlodipine, or diltiazem on exercise tolerance and angina frequency in patients with severe chronic angina: a randomized controlled trial. JAMA. 2004 Jan 21;291(3):309-16. [Pubmed]
Morrow DA, Scirica BM, Karwatowska-Prokopczuk E, Murphy SA, Budaj A, Varshavsky S, Wolff AA, Skene A, McCabe CH, Braunwald E: Effects of ranolazine on recurrent cardiovascular events in patients with non-ST-elevation acute coronary syndromes: the MERLIN-TIMI 36 randomized trial. JAMA. 2007 Apr 25;297(16):1775-83. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com
Selleck Chemicals -  S1799 external link
Research Area: Cardiovascular Disease
Biological Activity:
Ranolazine(Ranexa) is an antianginal medication. Ranolazine is believed to have its effects via altering the trans-cellular late sodium current. It is by altering the intracellular sodium level that ranolazine affects the sodium-dependent calcium channels during myocardial ischemia in rabbits. Thus, ranolazine indirectly prevents the calcium overload that causes cardiac ischemia in rats. [1]
Toronto Research Chemicals -  R122500 external link
Ranolazine is an anti-ischemic agent which modulates myocardial metabolism. Antianginal.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Hale SL, Kloner RA: Ranolazine, an inhibitor of the late sodium channel current, reduces postischemic myocardial dysfunction in the rabbit. J Cardiovasc Pharmacol Ther. 2006 Dec;11(4):249-55. Pubmed
  • Fraser H, Belardinelli L, Wang L, Light PE, McVeigh JJ, Clanachan AS: Ranolazine decreases diastolic calcium accumulation caused by ATX-II or ischemia in rat hearts. J Mol Cell Cardiol. 2006 Dec;41(6):1031-8. Epub 2006 Oct 5. Pubmed
  • Stone PH, Gratsiansky NA, Blokhin A, Huang IZ, Meng L: Antianginal efficacy of ranolazine when added to treatment with amlodipine: the ERICA (Efficacy of Ranolazine in Chronic Angina) trial. J Am Coll Cardiol. 2006 Aug 1;48(3):566-75. Epub 2006 Jun 15. Pubmed
  • Chaitman BR, Pepine CJ, Parker JO, Skopal J, Chumakova G, Kuch J, Wang W, Skettino SL, Wolff AA: Effects of ranolazine with atenolol, amlodipine, or diltiazem on exercise tolerance and angina frequency in patients with severe chronic angina: a randomized controlled trial. JAMA. 2004 Jan 21;291(3):309-16. Pubmed
  • Morrow DA, Scirica BM, Karwatowska-Prokopczuk E, Murphy SA, Budaj A, Varshavsky S, Wolff AA, Skene A, McCabe CH, Braunwald E: Effects of ranolazine on recurrent cardiovascular events in patients with non-ST-elevation acute coronary syndromes: the MERLIN-TIMI 36 randomized trial. JAMA. 2007 Apr 25;297(16):1775-83. Pubmed
  • Chaitman, B.R., et al.: J. Am. Coll. Cardial., 43, 1375 (2004)
  • McCormack, J.G., et al.: Gen. Pharmacol., 30, 639 (2004)
  • Schofield, J.A.H., et al.: Expert Opin. Invest. Drugs, 11, 117 (2004)
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专利

专利

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