CAS: 1373422-53-7; 3-((2-(Pyridin-2-yl)-6-(1,2,4,5-Tetrahydro-3H-Benzo[d]Azepin-3-yl)Pyrimidin-4-yl)Amino)Propanoic Acid
- 英文名称3-((2-(Pyridin-2-yl)-6-(1,2,4,5-Tetrahydro-3H-Benzo[d]Azepin-3-yl)Pyrimidin-4-yl)Amino)Propanoic Acid
- 中文名称N-[2-(2-吡啶基)-6-(1,2,4,5-四氢-3H-3-苯并氮杂卓-3-基)-4-嘧啶基]-β-丙氨酸
- IUPAC名称3-((2-(pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)pyrimidin-4-yl)amino)propanoic acid
- 其它别名3-((2-(Pyridin-2-yl)-6-(1,2,4,5-Tetrahydro-3H-Benzo[d]Azepin-3-yl)Pyrimidin-4-yl)Amino)Propanoic Acid; 3-(6-(4,5-Dihydro-1H-Benzo[d]Azepin-3(2H)-yl)-2-(Pyridin-2-yl)Pyrimidin-4-Ylamino)Propanoic Acid; 3-{[2-(Pyridin-2-yl)-6-(2,
- CAS编号1373422-53-7
- MFCD编号:MFCD22683851
- EINECS号:802-708-2
- 分子式:C22H23N5O2分子量:389.46
- 产品CID: 580532
- 同类组份化合物CAS1797832-71-3 (soidum)1373422-53-7 (free acid)
- 产品分类生物化工 → 生化试剂 → 激动剂抑制剂
- 相似结构搜索
- InChIKey: AVZCPICCWKMZDT-UHFFFAOYSA-N
- AVZCPICCWKMZDT-UHFFFAOYSA-N
- 计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数6.0
物理性质
- 沸点608.9±55.0 °C at 760 mmHg
- 闪点322.0±31.5 °C
- 密度1.3±0.1 g/cm3
- pKa:4.20±0.10(预测)
- PSA:91.24
- LogP:2.75
- 折射率1.653
- 蒸汽压0.0±1.8 mmHg at 25°C
- 溶解性DMSO: Soluble15mg/mL, Clear
- 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H3K27ME3/ME2脱甲基酶JMJJD3/KDM6B和UTX/KDDM-6A的选择性抑制剂,KDF6B的IC50为60纳米;它以H3K27依赖的方式禁止人类主要巨形中TNF-Α的生产;它也以IC5011微克/米和KD5B的IC50在1 MM Α-氯酸盐条件下的IC 50为94微克/兆米抑制KDME5C的脱甲基体活动.
MSDS等安全信息
欧盟法规
C&L通报上下游产品
CAS号4424-20-8 2,3,4,5 -四氢-1H ... | CAS号10235-65-1 4,6-二氯-2-[2-吡啶]嘧啶 | CAS号1373423-17-6 ethyl 3-((6-chl...合成工艺路线路线简述
- 合成目标产物 Gsk J1 主要起始原料 4,6-Dichloro-2-(2-Pyridinyl)Pyrimidine
- (文献来源)合成步骤主要原料 4,6-Dichloro-2-(2-Pyridinyl)Pyrimidine
📜4,6-二氯-2-[2-吡啶]嘧啶 以 四氢呋喃,1,4-二氧六环,甲醇,二氯甲烷,水,二甲基亚砜 用作溶剂,化学反应生成N-[2-(2-吡啶基)-6-(1,2,4,5-四氢-3H-3-苯并氮杂卓-3-基)-4-嘧啶基]-Beta-丙氨酸
参考文献:Immobilization Products And Methods For The Identification Of Histone Demethylase Interacting Molecules And For The Purification Of Histone Demethylase Proteins
标题:Immobilization Products And Methods For The Identification Of Histone Demethylase Interacting Molecules And For The Purification Of Histone Demethylase Proteins
摘要:本发明涉及包含式(I)化合物的固定化产品及其制备方法,以及用于识别组蛋白去甲基化酶相互作用化合物或用于纯化或鉴定组蛋白去甲基化酶蛋白的方法和用途.
海关参考信息
- 2902600000-乙苯
2905121000-正丙醇
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
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: Wang C, Hu B, Yang Y, Wang Y, Qin J, Wen X, Li Y, Li H, Wang Y, Wang J, Liu Y. Structural simulation and selective inhibitor discovery study for histone demethylases KDM4E/6B from a computational perspective. Comput Biol Chem. 2024 Jun;110:108072. doi: 10.1016/j.compbiolchem.2024.108072. Epub 2024 Apr 12. 16(4):730. doi: 10.3390/cancers16040730.
3: Yang B, Liu W, Li M, Mo J. GSK-J1-loaded, hyaluronic acid-decorated metal- organic frameworks for the treatment of ovarian cancer. Front Pharmacol. 2022 Nov 7;13:1023719. doi: 10.3389/fphar.2022.1023719.
4: Leng XY, Yang J, Fan H, Chen QY, Cheng BJ, He HX, Gao F, Zhu F, Yu T, Liu YJ. JMJD3/H3K27me3 epigenetic modification regulates Th17/Treg cell differentiation in ulcerative colitis. Int Immunopharmacol. 2022 Sep;110:109000. doi: 10.1016/j.intimp.2022.109000. Epub 2022 Jun 28. 23(3-4):141-148. doi: 10.1038/s41435-022-00174-8. Epub 2022 May 17. 298(6):102017. doi: 10.1016/j.jbc.2022.102017. Epub 2022 May 6.
合成参考文献
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:10.1021/acs.jmedchem.8b01219
摘要:Horton JR, Woodcock CB, Chen Q, Liu X, Zhang X, Shanks J, Rai G, Mott BT, Jansen DJ, Kales SC, Henderson MJ, Cyr M, Pohida K, Hu X, Shah P, Xu X, Jadhav A, Maloney DJ, Hall MD, Simeonov A, Fu H, Vertino PM, Cheng X. Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem. 2018 Nov 03;61(23):10588–601. doi: 10.1021/acs.jmedchem.8b01219.
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