CAS: 159138-80-4; N-(Diaminomethylene)-4-Isopropyl-3-(Methylsulfonyl)Benzamide

该化合物是一种化学化合物,被归类为钠氢交换器(NHE-1)的选择性抑制剂,主要研究其潜在的心血管保护效应,特别是在异化学-再聚损伤方面.甲虫酸盐表现出NHE-1等形的高度亲近性,它在调节细胞内pH和心脏细胞中的钠水平方面发挥着关键作用.通过抑制这一交换器,甲虫酸盐可以帮助减少氧气供应低时的细胞损伤,从而保持心脏功能.该化合物的典型特征是其特定的分子结构,其中包括一个环和各种功能组,有助于其生物活动.在溶解性方面,甲虫酸盐通常在有机溶剂中溶解,这有利于其在实验室环境中的使用.其药理学概况表明,在治疗诸如心肌梗塞和心脏衰竭等情况方面可能应用.尽管需要进行进一步的研究,以充分理解其治疗潜力和安全特征.

英文名称N-(Diaminomethylene)-4-Isopropyl-3-(Methylsulfonyl)Benzamide
中文名称卡立泊来德
IUPAC名称N-(diaminomethylene)-4-isopropyl-3-(methylsulfonyl)benzamide
其它别名N-Carbamimidoyl-3-Methanesulfonyl-4-(Propan-2-yl)Benzamide; 3-Methylsulfonyl-4-I-Propylbenzoylguanidine; Benzamide, N-(Diaminomethylene)-4-(1-Methylethyl)-3-(Methylsulfonyl)-; B
CAS编号159138-80-4
MFCD编号:MFCD00864683
FDA UNII编号:7E3392891K
分子式:C12H17N3O3S
分子量:283.35
产品CID: 795440
同类组份化合物CAS159138-80-4 (free base)159138-81-5 (mesylate)
产品分类生物化工 → 生化试剂 → 激动剂抑制剂

相似结构搜索
InChIKey: IWXNYAIICFKCTM-UHFFFAOYSA-N
InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数3.0

物理性质

熔点90-94° (dec)
沸点542.8±60.0 °C at 760 mmHg
闪点282.1±32.9 °C
密度1.3±0.1 g/cm3
PSA:123.99
LogP:0.4
折射率1.602
蒸汽压0.0±1.4 mmHg at 25°C
溶解性Insoluble In H2O; ≥12.05 mg/mL In DMSO; ≥2.675 mg/mL In Etoh With Gentle Warming And Ultrasonic
外观形态白色至米色粉末
储存条件2-8°C
产品应用该化合物用作NA+/H+交换器1型异形(NHE1)的有选择性的强力抑制剂;通过减少心肌中心肌外科2+过重的心肌炎/复发伤害,降低心肌小球细胞的细胞细胞细胞过重;抑制细胞死亡标记(如TUNEL阳性值和CASPASE-3裂变);防止H2O2引发的脑膜膜潜在损耗;抑制人类板板块脱压,板板-LEUKOCYTE综合形成和GPIIB/III受体(PAC-1激活);并减少脑部摄入量,脑膜肿,脑肿和静脉注射后脚下体积.

上下游产品

3-Methylsulfonyl-4-I-Propylbenzoyl Chloride 167764-63-8
苯甲酸,4-(1-甲基乙基)-3-(甲磺酰)- 3-Methanesulfonyl-4-Iso-Propylbenzoic Acid 159139-35-2
3-甲基磺酰基-4-异丙基苯甲酸甲酯 4-Isopropyl-3-Methanesulfonyl-Benzoic Acid Methyl Ester 176107-23-6

合成工艺路线路线简述

3-氯磺酰-4-异丙基苯甲酸置于sodium Hydroxide,氯化亚砜,Sodium Sulfite体系中,用四氢呋喃,水,N,N-二甲基甲酰胺,甲苯用作溶剂,化学反应 8.0H,反应生成卡立泊来德
参考文献: Compounds For Treatment Of Cardiovascular Diseases[fr] Composes Pour Traitement Des Maladies Cardio-Vasculaires
标题: Compounds For Treatment Of Cardiovascular Diseases[fr] Composes Pour Traitement Des Maladies Cardio-Vasculaires
摘要:含有钠-氢交换型1(nhe-1)抑制剂与ca2+超载抑制剂的药物组合,以及利用这种组合抑制剂治疗心血管疾病(如缺血),特别是哺乳动物(包括人类)中的围手术期心肌缺血性损伤的用途被披露.

海关参考信息

2902600000-乙苯
2902700000-异丙基苯
2912110000-甲醛
2912210000-苯甲醛
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专利信息

专利号:US-6294538-B1
优先权日:1999-04-01
标题 :Compounds for treating and preventing diabetic complications
发明人：MYLARI BANAVARA L
权利人:PFIZER
摘要:This invention is directed to sorbitol dehydrogenase inhibitory compounds of the formula I, n wherein R is as defined in the specification. This invention is also directed to pharmaceutical compositions containing those compounds and methods of treating or preventing diabetic complications, particularly diabetic neuropathy, diabetic nephropathy and diabetic cardiomyopathy by administering such compounds to a mammal suffering from diabetes and therefore at risk for developing such complications. This invention is also directed to pharmaceutical compositions comprising a combination of a compound of formula I of this invention with an aldose reductase inhibitor and to methods of treating or preventing diabetic complications therewith. This invention is also directed to pharmaceutical compositions comprising a combination of a compound of formula I of this invention with an NHE-1 inhibitor and to methods of treating cardiomyopathy and other heart-related problems therewith. This invention is also directed to certain intermediates used in the synthesis of the compounds of formula I and to processes for preparing those intermediates.

专利号:US-6936600-B2
优先权日:1999-04-01
标题:Sorbitol dehrydrogenase inhibitors
发明人：CHU-MOYER MARGARET Y; MYLARI BANAVARA L; ZEMBROWSKI WILLIAM J
权利人:PFIZER
摘要:This invention is directed to sorbitol dehydrogenase inhibitory compounds of the formula I, n n nwherein R 1 , R 2 and R 3 are as defined in the specification. This invention is also directed to pharmaceutical compositions containing those compounds and methods of treating or preventing diabetic complications, particularly diabetic neuropathy, diabetic nephropathy, diabetic microangiopathy, diabetic macroangiopathy and diabetic cardiomyopathy by administering such compounds to a mammal suffering from diabetes and therefore at risk for developing such complications. This invention is also directed to pharmaceutical compositions comprising a combination of a compound of formula I of this invention with an aldose reductase inhibitor and to methods of treating or preventing diabetic complications therewith. This invention is also directed to pharmaceutical compositions comprising a combination of a compound of formula I of this invention with an NHE-1 inhibitor and to methods of treating cardiomyopathy and other heart-related problems therewith. This invention is also directed to certain intermediates used in the synthesis of the compounds of formula I and to processes for preparing those intermediates.

专利号:CN-108276316-A
优先权日:2018-01-23
标题:A new method for the synthesis of diaryl sulfone compounds

专利号:CN-108276316-B
优先权日:2018-01-23
标题:Novel synthesis method of diaryl sulfone compound

其他信息查阅

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主要参考文献

1: Mihaila RG. A minireview on NHE1 inhibitors. A rediscovered hope in oncohematology. Biomed Pap Med Fac Univ Palacky Olomouc Czech Repub. 2015 Dec;159(4):519-26. doi: 10.5507/bp.2015.060. Epub 2015 Nov 27. Review. doi: 10.1515/jbcpp-2014-0117. Review. doi: 10.1016/j.expneurol.2014.12.023. Epub 2015 Jan 13. Review.
4: Bartos JA, Debaty G, Matsuura T, Yannopoulos D. Post-conditioning to improve cardiopulmonary resuscitation. Curr Opin Crit Care. 2014 Jun;20(3):242-9. doi: 10.1097/MCC.0000000000000087. Review. doi: 10.1177/1074248413508465. Epub 2013 Dec 2. Review. doi: 10.1186/1479-5876-11-282. Review.
7: Madonna R, De Caterina R. Sodium-hydrogen exchangers (NHE) in human cardiovascular diseases: interfering strategies and their therapeutic applications. Vascul Pharmacol. 2013 Nov-Dec;59(5-6):127-30. doi: 10.1016/j.vph.2013.10.001. Epub 2013 Oct 15. Review. doi: 10.1002/clc.22113. Epub 2013 Mar 25. Review. doi: 10.1016/j.yjmcc.2013.02.006. Epub 2013 Feb 18. Review. doi: 10.1016/j.coph.2007.12.007. Epub 2008 Jan 28. Review. Review. Review. Review. Review. Review. Russian. Review. Erratum in: J Cardiovasc Pharmacol Ther. 2004 Dec;9(4):following 289. Reffemann, Thorsten [corrected to Reffelmann, Thorsten]. Myocardial protection at a crossroads: the need for translation into clinical therapy. Circ Res. 2004 Jul 23;95(2):125-34. Review. Review. Review. Epub 2003 Sep 19. Review.

合成参考文献

参考文献:10.1007/s003950170037
摘要:Avkiran M. Protection of the ischaemic myocardium by Na + /H + exchange inhibitors: potential mechanisms of action. Basic Research in Cardiology. 2001 Aug 01;96(4):306–11. doi: 10.1007/s003950170037.
参考文献:10.1007/s003950170038
摘要:Hurtado C, Pierce GN. Sodium-hydrogen exchange inhibition: pre-versus post-ischemic treatment. Basic Res Cardiol. 2001 Jul;96(4):312–7. doi: 10.1007/s003950170038.
参考文献:10.1007/s003950170039
摘要:Gumina RJ, Terzic A, Gross GJ. Do NHE inhibition and ischemic preconditioning convey cardioprotection through a common mechanism Basic Res Cardiol. 2001 Jul;96(4):318–24. doi: 10.1007/s003950170039.
参考文献:10.1007/s003950170040
摘要:Karmazyn M. Role of sodium-hydrogen exchange in cardiac hypertrophy and heart failure: a novel and promising therapeutic target. Basic Res Cardiol. 2001 Jul;96(4):325–8. doi: 10.1007/s003950170040.
参考文献:10.1007/s004240050907
摘要:Wiemann M, Schwark J, Bonnet U, Jansen HW, Grinstein S, Baker RE, Lang H, Wirth K, Bingmann D. Selective inhibition of the Na + /H + exchanger type 3 activates CO 2 /H + -sensitive medullary neurones. Pflgers Archiv European Journal of Physiology. 1999 Jul 19;438(3):255–62. doi: 10.1007/s004240050907.