CAS: 676128-63-5; Rsv604

该化合物是一个化学化合物,其结构复杂,包括尿素和苯[e][1-4]-dianzepine框架.该化合物具有氟苯组的特点,有助于其潜在的生物活动,特别是在药用化学领域.2-ox组和苯基子基子子基组的存在增强了其亲脂性,并可能影响其与生物目标的相互作用.(S)配置显示的立体化学学学表明,具体的空间安排可能会影响化合物的药性特性,包括受体结合和代谢途径.由于与已知的...

英文名称Rsv604
中文名称(S)-1-(2-氟苯基)-3-(2-氧代-5-苯基-2,3-二氢-1H-苯甲酸[E][1,4]H-3-基)脲
IUPAC名称(S)-1-(2-fluorophenyl)-3-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea
CAS编号676128-63-5
MFCD编号:MFCD28963952
FDA UNII编号:6NF9HI6D98
分子式:C22H17FN4O2分子量:388.39
产品CID: 1659200

相似结构搜索
InChIKey: MTPVBMVUENFFLL-HXUWFJFHSA-N
1S/C22H17FN4O2/c23-16-11-5-7-13-18(16)25-22(29)27-20-21(28)24-17-12-6-4-10-15(17)19(26-20)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H2,25,27,29)/t20-/m1/s1
计算化学: 氢键受体数4.0氢键供体数3.0可旋转键数3.0

物理性质

LogP:3.3
溶解性DMF: 30 mg/mL; DMF:Pbs (Ph 7.2) (1:20): 0.04 mg/mL; DMSO: 20 mg/mL; Ethanol: 5 mg/mL
外观形态白色至类白色固体
储存条件储存在 -20°C
产品应用该化合物是一种核子卡普西德蛋白抑制剂,有可能用于治疗呼吸道同步病毒感染.

MSDS等安全信息

合成工艺路线路线简述

合成目标产物 Rsv604 主要起始原料 2-Fluorophenyl Isocyanate And 2H-1,4-Benzodiazepin-2-One, 3-Amino-1,3-Dihydro-5-Phenyl-, (3S)-
(文献来源)合成步骤主要原料 2-Fluorophenyl Isocyanate 和 2H-1,4-Benzodiazepin-2-One, 3-Amino-1,3-Dihydro-5-Phenyl-, (3S)-

海关参考信息

2902300000-甲苯
2912110000-甲醛
2912120000-乙醛
2921211000-乙二胺
💡 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

专利信息

专利号:US-9982006-B2
优先权日:2014-08-21
标题:2â€²-chloro aminopyrimidinone and pyrimidine dione nucleosides
发明人：CLARKE MICHAEL O'NEIL HANRAHAN; MACKMAN RICHARD L; SIEGEL DUSTIN
权利人:GILEAD SCIENCES INC
摘要:Provided herein are formulations, methods and substituted 2â€²-chloro aminopyrimidinone and pyrimidine dione compounds of Formula (I) for treating Pneumovirinae virus infections, including respiratory syncytial virus infections, as well as methods and intermediates for synthesis of substituted 2â€²-chloro aminopyrimidinone and pyrimidine dione compounds.

专利号:US-9701682-B2
优先权日:2013-11-11
标题:Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections
发明人：CLARKE MICHAEL O'NEIL HANRAHAN; DOERFFLER EDWARD; MACKMAN RICHARD L; SIEGEL DUSTIN
权利人:GILEAD SCIENCES INC
摘要:Provided herein are formulations, methods and substituted tetrahydrofuranyl-pyrrolo[1,2-f][1,2,4]triazine-4-amine compounds of Formula (I) for treating Pneumovirinae virus infections, including respiratory syncytial virus infections, as well as methods and intermediates for synthesis of tetrahydrofuranyl-pyrrolo[1,2-f][1,2,4]triazine-4-amine compounds.

其他信息查阅

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

主要参考文献

1: Henderson EA, Alber DG, Baxter RC, Bithell SK, Budworth J, Carter MC, Chubb A, Cockerill GS, Dowdell VC, Fraser IJ, Harris RA, Keegan SJ, Kelsey RD, Lumley JA, Stables JN, Weerasekera N, Wilson LJ, Powell KL. 1,4-benzodiazepines as inhibitors of respiratory syncytial virus. The identification of a clinical candidate. J Med Chem. 2007 Apr 5;50(7):1685-92. doi: 10.1107/S1744309108031059.
3: Challa S, Scott AD, Yuzhakov O, Zhou Y, Tiong-Yip CL, Gao N, Thresher J, Yu Q. Mechanism of action for respiratory syncytial virus inhibitor RSV604. Antimicrob Agents Chemother. 2015 Feb;59(2):1080-7. doi: 10.1128/AAC.04119-14.
4: Nokes JD, Cane PA. New strategies for control of respiratory syncytial virus infection. Curr Opin Infect Dis. 2008 Dec;21(6):639-43. doi: 10.1097/QCO.0b013e3283184245. Review.

合成参考文献

参考文献:10.1007/978-3-031-33871-7_5
摘要:Gautam S, Kumar M. Targeted Computational Approaches to Identify Potential Inhibitors for Nipah Virus. 2023. In: Challenges and Advances in Computational Chemistry and Physics.
参考文献:10.1007/s10910-023-01568-3
摘要:Winkler DA. Computational repurposing of drugs for viral diseases and current and future pandemics. J Math Chem. 2024 Feb 05;62(10):2844–79. doi: 10.1007/s10910-023-01568-3.