CAS: 1174043-16-3; 4-(4-Fluoro-3-(4-Methoxypiperidine-1-Carbonyl)Benzyl)Phthalazin-1(2H)-One
该化合物是一种化学化合物,属于小分子类别,专门设计为酶聚(ADP-ribose)聚合酶(PARP)的强大和选择性抑制剂;该化合物在癌症研究领域引起了注意,特别是其在治疗DNA修复机制(如BRCA突变)缺陷的肿瘤方面的潜在治疗应用.AZD-2461的特点是它有能力提高DNA脱氧剂的功效,从而导致癌症细胞死亡.该化合物表现出有利的药用植物动力,包括口服生物利用率高,临床前科研究中可管理的安全特征.其行动机制包括抑制PARP,它在修复单层和DNA断裂方面发挥着关键作用.AZD-2461通过阻断这一修复路径,可以使癌症细胞对化疗和辐射疗法有敏感认识,从而成为肿瘤综合疗法的有前途的候选方.持续临床试验继续评估其各种癌症类型的有效性和安全性.
- 英文名称4-(4-Fluoro-3-(4-Methoxypiperidine-1-Carbonyl)Benzyl)Phthalazin-1(2H)-One
- 中文名称4-[4-氟-3-[(4-甲氧基哌啶-1-基)羰基]苄基]酞嗪-1(2H)-酮
- IUPAC名称4-(4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one
- CAS编号1174043-16-3
- MFCD编号:MFCD24386811
- EINECS号:682-440-9
- FDA UNII编号:3K288XF5XJ
- 分子式:C22H22FN3O3
- 分子量:395.43
- 产品CID: 222440
- 产品分类生物化工 → 抑制剂 → DNA损伤(DNA Damage)
物理性质
- 密度1.33±0.1 g/cm3(预测)
- pKa:12.07±0.40(预测)
- PSA:75.55
- LogP:3.2542
- 溶解性Insoluble In H2O; ≥16.35 mg/mL In DMSO; ≥45.2 mg/mL In Etoh With Ultrasonic
- 外观形态白色至米色粉末
- 储存条件2-8°C
- 产品应用该化合物是聚(ADP-RIBOSE)聚合酶(PARP)的新型,强大的小分子抑制剂,其设计与P-GLYCOPROTEIN的亲近性降低,以尽量减少半速阻力. 在临床前研究中,AZD-2461有效抑制了PARAP通过DNA修复而进行的DNA修复,导致DNA损伤累积,并导致在同质重组不足的肿瘤细胞细胞中选择性细胞细胞的细胞细胞细胞有选择的细胞毒性. 它的特征使它成为固体肿瘤治疗的有希望的候选方,特别是在可能出现对其他PAR P抑制剂抗药的地方.
MSDS等安全信息
欧盟法规
C&L通报上下游产品
2-fluoro-5-[(4'-oxo-3'H-phthalazin-1'-yl)methyl]benzoic acid 4-methoxypiperidine 4-methoxypiperidine hydr°Chloride合成工艺路线路线简述
- 合成目标产物 Azd2461 主要起始原料 2-Fluoro-5-((4-Oxo-3,4-Dihydrophthalazin-1-yl)Methyl)Benzoic Acid And 4-Methoxypiperidine Hydrochloride
- (文献来源)合成步骤主要原料 2-Fluoro-5-((4-Oxo-3,4-Dihydrophthalazin-1-yl)Methyl)Benzoic Acid 和 4-Methoxypiperidine Hydrochloride
5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲酸,4-甲氧基哌啶盐酸盐置于4-二甲氨基吡啶,盐酸-N-乙基-N'-(3-二甲氨基丙基)碳二亚胺体系中,用 二氯甲烷 用作溶剂,以72.9%的收率获得4-[4-氟-3-[(4-甲氧基哌啶-1-基)羰基]苄基]酞嗪-1(2H)-酮
参考文献:Phthalazinone Compound
标题:Phthalazinone Compound
摘要:4-(4-氟-3-(4-甲氧基哌啶-1-甲酰基)苄基)邻菲嗪-1(2H)-酮的结晶形式c.
海关参考信息
- 2905122000-异丙醇
2912110000-甲醛
2912210000-苯甲醛
2924191000-二甲基甲酰胺 - 💡 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-10772971-B2
优先权日:2017-06-22
标 题:Methods of producing drug-carrying polymer scaffolds and protein-polymer-drug conjugates
发明人：GURIJALA VENU REDDY; BOLLU SATYANARAYAN REDDY; LEBLANC JACQUES; LOWINGER TIMOTHY B; MCGILLICUDDY DENNIS; YIN MAO; YURKOVETSKIY ALEKSANDR V
权利人:MERSANA THERAPEUTICS INC; MERSANA THERPEUTICS INC
摘要:The disclosure provides methods of synthesis of polymeric scaffolds, e.g., those useful for conjugating with a protein based recognition-molecule (PBRM) to form PBRM-polymer-drug conjugates, and PBRM-polymer-drug conjugates thereof. The methods according to the disclosure allow for large-scale preparation of polymeric scaffolds having a high purity. In some embodiments, the methods according to the disclosure also allow for the preparation of scaffolds and conjugates thereof in better yield than previously used methods for preparing same. Also disclosed are methods of purifying polymeric scaffolds.
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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:
1: Jaspers JE, Kersbergen A, Boon U, Sol W, van Deemter L, Zander SA, Drost R, Wientjens E, Ji J, Aly A, Doroshow JH, Cranston A, Martin NM, Lau A, O'Connor MJ, Ganesan S, Borst P, Jonkers J, Rottenberg S. Loss of 53BP1 causes PARP inhibitor resistance in Brca1-mutated mouse mammary tumors. Cancer Discov. 2013 Jan;3(1):68-81. doi: 10.1158/2159-8290.CD-12-0049. Epub 2012 Oct 25.
合成参考文献
参考文献:10.1021/acs.jmedchem.6b01563
摘要:Salvati E, Botta L, Amato J, Di Leva FS, Zizza P, Gioiello A, Pagano B, Graziani G, Tarsounas M, Randazzo A, Novellino E, Biroccio A, Cosconati S. Lead Discovery of Dual G-Quadruplex Stabilizers and Poly(ADP-ribose) Polymerases (PARPs) Inhibitors: A New Avenue in Anticancer Treatment. J Med Chem. 2017 May 11;60(9):3626–35. doi: 10.1021/acs.jmedchem.6b01563.
参考文献:10.1124/mol.119.115964
摘要:Lee TD, Lee OW, Brimacombe KR, Chen L, Guha R, Lusvarghi S, Tebase BG, Klumpp-Thomas C, Robey RW, Ambudkar SV, Shen M, Gottesman MM, Hall MD. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular Pharmacology. 2019 Nov;96(5):629–40. doi: 10.1124/mol.119.115964.
参考文献:10.1016/j.bioorg.2018.10.015
摘要:Reilly SW, Puentes LN, Schmitz A, Hsieh C, Weng C, Hou C, Li S, Kuo Y, Padakanti P, Lee H, Riad AA, Makvandi M, Mach RH. Synthesis and evaluation of an AZD2461 [18F]PET probe in non-human primates reveals the PARP-1 inhibitor to be non-blood-brain barrier penetrant. Bioorganic Chemistry. 2019 Mar;83():242–9. doi: 10.1016/j.bioorg.2018.10.015.
参考文献:10.1016/j.yexcr.2021.112879
摘要:Romeo MA, Gilardini Montani MS, Benedetti R, Arena A, Maretto M, Bassetti E, Caiazzo R, D'Orazi G, Cirone M. Anticancer effect of AZD2461 PARP inhibitor against colon cancer cells carrying wt or dysfunctional p53. Exp Cell Res. 2021 Nov 15;408(2):112879. doi: 10.1016/j.yexcr.2021.112879.
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