CAS: 780757-88-2; (6S,9As)-N-Benzyl-6-(4-Hydroxybenzyl)-8-(Naphthalen-1-Ylmethyl)-4,7-Dioxohexahydro-2H-Pyrazino[1,2-A]Pyrimidine-1(6H)-Carboxamide
该化合物是一个复杂的有机化合物,其特点是多环结构和各种功能组,其特征是:一种闪烁-核核心,有助于其潜在的生物活动;存在一个苯基组和氢苯并苯并基,表明该产品可能与生物目标发生相互作用,可能影响其药理特性;二恶英组表明在某些条件下具有潜在的反应性和稳定性;该化合物可能有益于药用化学,特别是其潜在的治疗用途,尽管具体的生物活动和机制需要进一步调查;其立体化学学(6S,9aS)配置表明,该化合物提出了可能影响其与生物系统互动的具体空间安排;总体而言,该复合体现了在药物类分子中经常发现的复杂情况,结合了可能有助于其效率和安全特征的各种结构特征.
- 英文名称(6S,9As)-N-Benzyl-6-(4-Hydroxybenzyl)-8-(Naphthalen-1-Ylmethyl)-4,7-Dioxohexahydro-2H-Pyrazino[1,2-A]Pyrimidine-1(6H)-Carboxamide
- 中文名称2,3-二氢-1,4-苯并恶嗪
- IUPAC名称(6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
- 其它别名(6S,9As)-N-Benzyl-6-(4-Hydroxybenzyl)-8-(Naphthalen-1-Ylmethyl)-4,7-Dioxooctahydro-1H-Pyrazino[1,2-A]Pyrimidine-1-Carboxamide; (6S,9As)-6-(4-Hydroxybenzyl)-N-Benzyl-8-(Naphthalen-1-Ylmethyl)-4,7-Dioxo-Hexahydro-2H-Pyrazino[1,2-A]Pyrimidine-1(6H)-Carboxamide; (6S,9As)-6-(4-Hydroxybenzyl)-N-Benzyl-8-(Naphthalen-1-Ylmethyl)-4,7-Dioxo-Hexahydro-2H-Pyrazino[1,2-A]Pyrimidine-1(6H)-Carboxamide; 2H-Pyrazino[1,2-A]Pyrimidine-1(6H)-Carboxamide,Hexahydro-6-[(4-Hydroxyphenyl)Methyl]-8-(1-Naphthalenylmethyl)-4,7-Dioxo-N-(Phenylmethyl)-,(6R,9Ar)-Rel-; (6S,9As)-N-Benzyl-6-(4-Hydroxybenzyl)-8-(Naphthalen-1-Ylmethyl)-; (6S,9As)-6-(4-Hydroxybenzyl)-8-Naphthalen-1-Ylmethyl-4,7-Dioxo-Hexahydro-Pyrazino[1,2-A]Pyrimidine-1-Carboxylic Acid Benzylamide; (6S,9As)-Rel-Hexahydro-6-[(4-Hydroxyphenyl)Methyl]-8-(1-Naphthalenylmethyl)-4,7-Dioxo-N-(Phenylmethyl)-2H-Pyrazino[1,2-A]Pyrimidine-1(6H)-Carboxamide
- CAS编号780757-88-2
- MFCD编号:MFCD12196918
- 分子式:C33H32N4O4分子量:548.64
- 产品CID: 1775886
- 同类组份化合物CAS1422253-38-0 (PRI-724)847591-62-2 (deleted)780757-88-2 (ICG001)
- 产品分类生物化工 → 抑制剂 → 干细胞及Wnt信号通路(Stem Cells & Wnt)
- 相似结构搜索
- InChIKey: HQWTUOLCGKIECB-XZWHSSHBSA-N
- HQWTUOLCGKIECB-XZWHSSHBSA-N
- 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数6.0
物理性质
MSDS等安全信息
合成工艺路线路线简述
📜(S)-2-[3-(3-Benzyl-Ureido)-Propionylamino]-3-(4-Tert-Butoxy-Phenyl)-N-(2,2-Diethoxy-Ethyl)-N-Naphthalen-1-Ylmethyl-Propionamide置于甲酸体系中,化学反应 20.0H,以57%的收率获得产物(6R,9Ar)-Rel-六氢-6-[(4-羟基苯基)甲基]-8-(1-萘基甲基)-4,7-二氧代-N-(苯基甲基)-2H-吡嗪并[1,2-A]嘧啶-1(6H)-甲酰胺
参考文献:Synthesis And Analysis Of Novel Compound Capable Of Inducing Differentiation Of Human Mesenchymal Stem Cell Into Hepatocyte
标题:Synthesis And Analysis Of Novel Compound Capable Of Inducing Differentiation Of Human Mesenchymal Stem Cell Into Hepatocyte
海关参考信息
- 2902600000-乙苯
2902902000-精萘
2912110000-甲醛
2912120000-乙醛 - 💡 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-9555061-B2
优先权日:2011-04-15
标 题 :Synthesis and analysis of compounds capable of inducing differentiation of human mesenchymal stems cells into hepatocytes
发明人：SHIOTA GOSHI; HOSHIKAWA YOSHIKO; MATSUMOTO NORIKO; MATSUMI YOSHIAKI; MORIMOTO MINORU; TONOI TAKAYUKI; SAIMOTO HIROYUKI; OHASHI KAZUO; OKANO TERUO
权利人:SHIOTA GOSHI; HOSHIKAWA YOSHIKO; MATSUMOTO NORIKO; MATSUMI YOSHIAKI; MORIMOTO MINORU; TONOI TAKAYUKI; SAIMOTO HIROYUKI; OHASHI KAZUO; OKANO TERUO; NAT UNIV CORP TORRORI UNIV; TOKYO WOMEN'S MEDICAL UNIV
摘要:The invention relates to low-molecular-weight compounds which are capable of inducing differentiation of mesenchymal stem cell into hepatocytes.
专利号:US-2014112892-A1
优先权日:2011-04-15
标题:Synthesis and analysis of novel compound capable of inducing differentiation of human mesenchymal stem cell into hepatocyte
专利号:WO-2012141038-A1
优先权日:2011-04-15
标题 :Synthesis and analysis of novel compound capable of inducing differentiation of human mesenchymal stem cell into hepatocyte
专利号:JP-2017205526-A
优先权日:2011-04-15
标 题:Synthesis and analysis of novel compound capable of inducing differentiation of human mesenchymal stem cell into hepatocyte
专利号:ES-2660756-T3
优先权日:2011-04-15
标 题:Synthesis and analysis of new compounds capable of inducing differentiation of human mesenchymal stem cell in hepatocyte
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Rao P, Pang M, Qiao X, Yu H, Wang H, Yang Y, Ren X, Hu M, Chen T, Cao Q, Wang Y, Khushi M, Zhang G, Wang YM, Heok P'ng C, Nankivell B, Lee VW, Alexander SI, Zheng G, Harris DC. Promotion of β-catenin/Foxo1 signaling ameliorates renal interstitial fibrosis. Lab Invest. 2019 Jun 26. doi: 10.1038/s41374-019-0276-z. [Epub ahead of print] pii: E2078. doi: 10.3390/ijms20092078.
4: Cui Y, Wu X, Lin C, Zhang X, Ye L, Ren L, Chen M, Yang M, Li Y, Li M, Li J, Guan J, Song L. AKIP1 promotes early recurrence of hepatocellular carcinoma through activating the Wnt/β-catenin/CBP signaling pathway. Oncogene. 2019 Jul;38(27):5516-5529. doi: 10.1038/s41388-019-0807-5. Epub 2019 Apr 1. doi: 10.1016/j.yexcr.2019.03.005. Epub 2019 Mar 4. doi: 10.1038/s41598-019-39560-0.
7: Sun HY, Wang XL, Ma LC, Yang M, Yang HJ, Huang HW, Zhao GA. Influence of MiR-154 on myocardial apoptosis in rats with acute myocardial infarction through Wnt/β-catenin signaling pathway. Eur Rev Med Pharmacol Sci. 2019 Jan;23(2):818-825. doi: 10.26355/eurrev_201901_16896. doi: 10.1016/j.bbadis.2019.01.027. Epub 2019 Jan 30.
合成参考文献
参考文献:10.1021/acs.jmedchem.1c00742
摘要:Wang Z, Zhang M, Quereda V, Frydman SM, Ming Q, Luca VC, Duckett DR, Ji H. Discovery of an Orally Bioavailable Small-Molecule Inhibitor for the β-Catenin/B-Cell Lymphoma 9 Protein–Protein Interaction. J. Med. Chem. 2021 Aug 12;64(16):12109–31. doi: 10.1021/acs.jmedchem.1c00742.
📝 需求与反馈
尽可能描述清楚需求与问题信息
