CAS: 844442-38-2; 4-(2,6-Dichlorobenzamido)-N-(Piperidin-4-yl)-1H-Pyrazole-3-Carboxamide
该化合物是合成有机化合物,其复杂的分子结构特征包括一个丙烯环,一个管状苯丁胺和二氯苯基组.该化合物通常具有中溶性等特性,并具有潜在的生物活性,因此对药物研究感兴趣.其结构表明,它可能与生物目标发生相互作用,可能作为药物开发的铅化合物.二氯苯甲酰胺基组的存在可能加强它的亲性与生物活动.此外,氨基苯甲酸酯功能组可以参与氢结合,影响其药用植物基因特性.
- 英文名称4-(2,6-Dichlorobenzamido)-N-(Piperidin-4-yl)-1H-Pyrazole-3-Carboxamide
- 中文名称4-[(2,6-二氯苄基)氨基]-N-4-哌啶1H-吡唑-3-羧胺
- IUPAC名称4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
- CAS编号844442-38-2
- MFCD编号:MFCD13184820
- FDA UNII编号:X1BF92PW9T
- 分子式:C16H17Cl2N5O2分子量:382.25
- 产品CID: 1832708
- 同类组份化合物CAS902135-91-5 (HCl)844442-38-2 (free base)902135-89-1(mesylate)1431697-85-6 (TFA)
- 产品分类生物化工 → 抑制剂 → 细胞周期(Cell Cycle)
物理性质
- 沸点586.0±50.0 °C at 760 mmHg
- 闪点308.2±30.1 °C
- 密度1.5±0.1 g/cm3
- pKa:11.10±0.70(预测)
- PSA:102.4
- LogP:0.95
- 折射率1.654
- 蒸汽压0.0±1.6 mmHg at 25°C
- 溶解性Insoluble In H2O; ≥3.99 mg/mL In Etoh With Ultrasonic; ≥9.55 mg/mL In DMSO With Gentle Warming
- 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多CDK抑制剂,具有潜在的抗肿瘤活动;目前处于第二阶段临床试验阶段,对各种人类癌症细胞线,包括多种骨髓瘤和结肠癌模型,表现出强大的抗扩散作用.AT75 19在肿瘤细胞中诱发多孔病,克服IL-6和IGF-1带来的扩散优势,保护骨髓体细胞(BMSCS),抑制人类多细胞瘤和肠癌的基因移植模型中的肿瘤生长,这些模型与增加的CASPASE-3活化和RNA二号聚合酶二二号细胞二号电磁共振动细胞2和SER5的细胞细胞细胞分光变异.
MSDS等安全信息
上下游产品
CAS号844443-90-9 4-([4-(2,6-dich...合成工艺路线路线简述
📜Tert-Butyl 4-(4-Nitro-1H-Pyrazole-3-Carboxamido)Piperidine-1-Carboxylate置于铁粉,溶剂黄146,N,N-二甲基甲酰胺,三氟乙酸体系中,用 乙醇,二氯甲烷,水 作为反应溶剂,化学反应生成 4-[(2,6-二氯苄基)氨基]-N-4-哌啶1H-吡唑-3-羧胺
参考文献:发现新型和生物可利用的组蛋白去乙酰化酶和细胞周期蛋白依赖性激酶双重抑制剂以损害白血病细胞的干性
标题:发现新型和生物可利用的组蛋白去乙酰化酶和细胞周期蛋白依赖性激酶双重抑制剂以损害白血病细胞的干性
摘要:急性髓性白血病(aml)已被确认为最致命的异质性克隆疾病之一.白血病干细胞 (Lsc) 是具有干细胞特征的白血病细胞亚群,除了对白血病的发生和发展至关重要外,还主要负责白血病复发和耐药性的发生.消除干性并诱导 Aml 细胞分化将成为一种有前途且有效的治疗策略.在本研究中,制备并优化了一类新型 Hdac/cdk 双重抑制剂.活性化合物33A已经鉴定,它在低纳摩尔浓度下表现出对 Cdk9,Cdk12,Cdk13,Hdac1,Hdac2 和 Hdac3 的有效和选择性抑制,并显着诱导白血病干细胞样细胞的分化并抑制 Aml 增殖.此外,该先导化合物具有相对充足的口服生物利用度,表明它可以作为一种新的策略来减轻 Lscs 的负担并改善 Aml 的预后.
DOI:10.1016/j.Ejmech.2023.115140
海关参考信息
- 2903919090-氯苯
2912110000-甲醛
2912210000-苯甲醛
2924199090-其他无环酰胺 - 💡 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-12391691-B2
优先权日:2018-11-16
标题:Synthesis of key intermediate of KRAS G12C inhibitor compound
发明人：PARSONS ANDREW THOMAS; COCHRAN BRIAN MCNEIL; POWAZINIK IV WILLIAM; CAPORINI MARC ANTHONY
权利人:AMGEN INC
摘要:The present invention relates to an improved, efficient, scalable process to prepare intermediate compounds, such as compound 5M, having the structure n nuseful for the synthesis of compounds that target KRAS G12C mutations, such as
专利号:US-2025206736-A1
优先权日:2019-11-14
标题 :Synthesis of kras g12c inhibitor compound
发明人：CORBETT MICHAEL THOMAS; CAILLE SEBASTIEN
权利人:AMGEN INC
摘要:The present disclosure relates to an improved, efficient, scalable process to prepare intermediate compounds, such as 2-isopropyl-4-methylpyridin-3-amine, useful for the synthesis of compounds, such as Compound 9, for the treatment of KRAS G12C mutated cancers.
专利号:US-2025206743-A1
优先权日:2022-03-25
标 题:Tyk2 inhibitor synthesis and intermediates thereof
发明人：MASSE CRAIG E; PHADKE AVINASH S; LAWSON JON P; LEVY STUART; YANG XIAOWEI; WU GUISHENG; FAN SHUFENG
权利人:TAKEDA PHARMACEUTICALS CO
摘要:Described herein are methods of synthesis of a tyrosine-protein kinase 2 (TYK2) inhibitor and to intermediate compounds of the synthesis and methods of making the intermediates. Also provided are pharmaceutically acceptable compositions including compounds prepared by the synthetic method and methods of treating disorders using the same.
专利号:US-2023192681-A1
优先权日:2019-11-14
标 题 :Improved synthesis of kras g12c inhibitor compound
专利号:US-11299491-B2
优先权日:2018-11-16
标 题:Synthesis of key intermediate of KRAS G12C inhibitor compound
专利号:US-2025206735-A1
优先权日:2018-11-16
标题:Synthesis of key intermediate of kras g12c inhibitor compound
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: Komiyama T, Kihara H, Hirose K, Yoshimoto R, Shigematsu H. AT-1015, a novel serotonin2A receptor antagonist, improves resaturation of exercised ischemic muscle in hypercholesterolemic rabbits. J Vasc Surg. 2004 Mar;39(3):661-7.
合成参考文献
参考文献:10.1038/s41375-020-01011-5
摘要:Adnan Awad S, Dufva O, Ianevski A, Ghimire B, Koski J, Maliniemi P, Thomson D, Schreiber A, Heckman CA, Koskenvesa P, Korhonen M, Porkka K, Branford S, Aittokallio T, Kankainen M, Mustjoki S. RUNX1 mutations in blast-phase chronic myeloid leukemia associate with distinct phenotypes, transcriptional profiles, and drug responses. Leukemia. 2020 Aug 11;35(4):1087–99. doi: 10.1038/s41375-020-01011-5.
参考文献:10.22037/ijpr.2019.112560.13827
摘要:Zabihi M, Safaroghli-Azar A, Gharehbaghian A, Allahbakhshian Farsani M, Bashash D. CDK Blockade Using AT7519 Suppresses Acute Myeloid Leukemia Cell Survival through the Inhibition of Autophagy and Intensifies the Anti-leukemic Effect of Arsenic Trioxide. Iran J Pharm Res. 2019;18(Suppl1):119–31.
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