CAS: 552325-73-2; (S)-1-((5-(3-Methyl-1H-Indazol-5-yl)Pyridin-3-yl)Oxy)-3-Phenylpropan-2-Amine
该化合物是具有手性中心的化合物,由(2S)配置显示.该化合物含有一种丙胺脊椎,代之以一种苯基组和包括一种和异氮混合物的复杂侧链.这种环的存在表明它与生物目标之间可能发生相互作用,使其对药用化学感兴趣.由于不达诺元素可能对其药用特性有帮助,从而可能影响其结合性和选择性.此外,该化合物的结构表明它可能具有特定的立体化学特性,从而可能影响其生物活动.
- 英文名称(S)-1-((5-(3-Methyl-1H-Indazol-5-yl)Pyridin-3-yl)Oxy)-3-Phenylpropan-2-Amine
- 中文名称(αS)-α-[[[5-(3-甲基-1H-吲唑-5-基)-3-吡啶基]氧]甲基]苯乙胺
- IUPAC名称(S)-1-((5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl)oxy)-3-phenylpropan-2-amine
- CAS编号552325-73-2
- MFCD编号:MFCD18711680
- FDA UNII编号:3W2X0WGW6C
- 分子式:C22H22N4O分子量:358.45
- 产品CID: 1526796
- 同类组份化合物CAS2070009-66-2 (HCl)552325-73-2 (free base)
- 产品分类生物化工 → 抑制剂 → PI3K/Akt/mTOR抑制剂(PI3K/Akt/mTOR)
物理性质
- 熔点243.14° C
- 沸点624.4±55.0 °C at 760 mmHg
- 闪点331.4±31.5 °C
- 密度1.2±0.1 g/cm3
- pKa:13.43±0.40(预测)
- PSA:76.82
- LogP:3.73
- 折射率1.663
- 蒸汽压0.0±1.8 mmHg at 25°C
- 溶解性Insoluble In Etoh; ≥23.8 mg/mL In H2O; ≥4.9 mg/mL In DMSO
- 外观形态白色至黄色固体
- 储存条件储存在 -20°C
- 产品应用该化合物是AK1,SERIN/THREONINE 直系细胞细胞细胞,在细胞生存,扩散和新陈代谢中具有中心作用.在体外,A-674563A-67/4563 ATRO用低纳米细胞范围IC50值抑制AK-1活动,(~5-10纳米MM),导致抑制GSK-3Β,MTOROR和FOXO蛋白的磷酸化等下游信号路径,导致细胞循环停止,减少扩散和引入各种癌症细胞细胞的聚变,包括乳房,肺和白血病模型.在体内,对肌肉XOOMOGRAFT模型的口服管理显示严重的肿瘤生长抑制,减少肿瘤组织中的AK1-磷酸反应,提高存活能力,证实目标接触和翻译潜力强劲.A-674563的高度能量,选择性和可喜的药用药性皮肤特征使其成为进行临床前科研究的宝贵工具,对AKT1信号进行机械学和定向开发.
合成工艺路线路线简述
📜N-Boc-L-苯丙氨醇置于四(三苯基膦)钯,六甲基二锡,三苯基膦,三氟乙酸,偶氮二甲酸二乙酯体系中,用 四氢呋喃,二氯甲烷,甲苯 作为反应溶剂,化学反应生成 A 674563; (Alphas)-Alpha-[[[5-(3-甲基-1H-吲唑-5-基)-3-吡啶基]氧]甲基]苯乙胺
参考文献:Identification Of A Novel 3,5-Disubstituted Pyridine As A Potent,Selective,And Orally Active Inhibitor Of Akt1 Kinase
标题:Identification Of A Novel 3,5-Disubstituted Pyridine As A Potent,Selective,And Orally Active Inhibitor Of Akt1 Kinase
摘要:Based On Lead Compounds 2 And 3 A Series Of 3,5-Disubstituted Pyridines Have Been Designed And Evaluated For Inhibition Of Akt/pkb. Modifications At The 3 Position Of The Pyridine Ring Led To A Number Of Potent Compounds With Improved Physical Properties,Resulting In The Identification Of 11G As A Promising,Orally Active Akt Inhibitor. The Synthesis,Structure-Activity Relationship Studies,And Pharmacokinetic Data Are Presented In This Paper. (C) 2006 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Bmcl.2006.04.046
海关参考信息
- 2902600000-乙苯
2905121000-正丙醇
2922110001-单乙醇胺
2933310010-吡啶 - 💡 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
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: Kobayashi T, Fujita K, Kamatani T, Matsuda S, Tsumaki N. A-674563 increases chondrocyte marker expression in cultured chondrocytes by inhibiting Sox9 degradation. Biochem Biophys Res Commun. 2018 Jan 1;495(1):1468-1475. doi: 10.1016/j.bbrc.2017.11.180. Epub 2017 Dec 5. 13(2):e0193344. doi: 10.1371/journal.pone.0193344.
3: Zou Y, Fan G, Wang X. Pre-clinical assessment of A-674563 as an anti-melanoma agent. Biochem Biophys Res Commun. 2016 Aug 12;477(1):1-8. doi: 10.1016/j.bbrc.2016.03.020. Epub 2016 Mar 10. 472(4):662-8. doi: 10.1016/j.bbrc.2016.02.094. Epub 2016 Feb 23.
105:106892. doi: 10.1016/j.vascn.2020.106892. Epub 2020 Jul 3.
合成参考文献
参考文献:10.1016/j.bmcl.2009.11.064
摘要:Lin H, Yamashita DS, Zeng J, Xie R, Wang W, Nidarmarthy S, Luengo JI, Rhodes N, Knick VB, Choudhry AE, Lai Z, Minthorn EA, Strum SL, Wood ER, Elkins PA, Concha NO, Heerding DA. 2,3,5-Trisubstituted pyridines as selective AKT inhibitors—Part I: Substitution at 2-position of the core pyridine for ROCK1 selectivity. Bioorganic & Medicinal Chemistry Letters. 2010 Jan;20(2):673–8. doi: 10.1016/j.bmcl.2009.11.064.
摘要:S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
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