CAS: 753449-67-1; Ronacaleret

英文名称Ronacaleret
中文名称丙酸
IUPAC名称(R)-3-(3-(3-((1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)-4,5-difluorophenyl)propanoic acid
CAS编号753449-67-1
EINECS号:815-090-4
FDA UNII编号:DIH95YP7J3
分子式:C25H31F2NO4分子量:447.51
产品CID: 1745266
同类组份化合物CAS753449-67-1 (free base)702686-96-2 (HCl)
产品分类有机原料 → 羧酸类化合物及衍生物 → 无环羧酸

相似结构搜索
InChIKey: FQJISUPNMFRIFZ-HXUWFJFHSA-N
InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)
计算化学: 氢键受体数7.0氢键供体数3.0可旋转键数11.0

物理性质

沸点624.4±55.0 °C(预测)
密度1.222±0.06 g/cm3(预测)
pKa:4.54±0.10(预测)
PSA:78.79
LogP:4.7497
储存条件Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
产品应用该化合物是钙感应器受体对抗者.

欧盟法规

C&L通报

上下游产品

(R)-1-(5-bromo-2,3-difluoro-phenoxy)-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propan-2-ol (R)-2-(5-Bromo-2,3-difluoro-phenoxymethyl)-oxirane

合成工艺路线路线简述

合成目标产物 Ronacaleret 主要起始原料 2-Propanol, 1-(5-Bromo-2,3-Difluorophenoxy)-3-[[2-(2,3-Dihydro-1H-Inden-2-yl)-1,1-Dimethylethyl]Amino]-, (2R)-
(文献来源)合成步骤主要原料 2-Propanol, 1-(5-Bromo-2,3-Difluorophenoxy)-3-[[2-(2,3-Dihydro-1H-Inden-2-yl)-1,1-Dimethylethyl]Amino]-, (2R)-

📜(E)-3-{3,4-Difluoro-5-[(R)-2-Hydroxy-3-(2-Indan-2-Yl-1,1-Dimethyl-Ethylamino)-Propoxy]-Phenyl}-Acrylic Acid Hydrochloride置于5 % Pd/caco3,氢气体系中,用溶剂黄146,乙酸乙酯作为反应溶剂,化学反应 15.0H,反应生成丙酸
参考文献:Calcilytic Compounds
标题:Calcilytic Compounds
摘要:提供了新型钙调节剂化合物及其使用方法.

海关参考信息

2902600000-乙苯
2905122000-异丙醇
2905310000-1,2-乙二醇
2905320000-1,2-丙二醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

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供应商参考报价(招募中)

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主要参考文献

1: Takenaka T, Inoue T, Miyazaki T, Nishiyama A, Ishii N, Hayashi M, Suzuki H. Antialbuminuric actions of calcilytics in the remnant kidney. Am J Physiol Renal Physiol. 2015 Aug 1;309(3):F216-26. doi: 10.1152/ajprenal.00003.2015. Epub 2015 May 27. doi: 10.1021/jp505061j. Epub 2014 Aug 18. doi: 10.1016/j.bone.2014.04.024. Epub 2014 May 2. Review.
5: Caltabiano S, Dollery CT, Hossain M, Kurtinecz MT, Desjardins JP, Favus MJ, Kumar R, Fitzpatrick LA. Characterization of the effect of chronic administration of a calcium-sensing receptor antagonist, ronacaleret, on renal calcium excretion and serum calcium in postmenopausal women. Bone. 2013 Sep;56(1):154-62. doi: 10.1016/j.bone.2013.05.021. Epub 2013 Jun 10. doi: CliCa1203327333. Review. Japanese. doi: 10.1038/nrendo.2011.212. doi: 10.1002/jbmr.554. doi: 10.1161/HYPERTENSIONAHA.111.172890. Epub 2011 Aug 8.
10: Fitzpatrick LA, Smith PL, McBride TA, Fries MA, Hossain M, Dabrowski CE, Gordon DN. Ronacaleret, a calcium-sensing receptor antagonist, has no significant effect on radial fracture healing time: results of a randomized, double-blinded, placebo-controlled Phase II clinical trial. Bone. 2011 Oct;49(4):845-52. doi: 10.1016/j.bone.2011.06.017. Epub 2011 Jun 30. doi: 10.1210/jc.2010-2855. Epub 2011 May 18. doi: 10.1016/j.bmcl.2009.04.044. Epub 2009 Apr 18.