CAS: 1613695-14-9; (S)-4-(1-(2-(3-Chloro-4-Methoxyphenethyl)-5-(3,5-Dimethylisoxazol-4-yl)-1H-Benzo[d]Imidazol-1-yl)Propan-2-yl)Morpholine
该化合物是一个小分子抑制剂,具体针对的是蛋白,特别是BRD4的溴底和外缘家族,该化合物在调制基因表达方面所发挥的作用众所周知,它干扰了蛋白和乙酰甘油在直ones上的相互作用,这对癌症和炎症所涉各种基因的笔录调节至关重要.SGC-CBP30已经研究过它可能用于各种癌症的治疗用途,因为它通过改变肿瘤的表达方式,可能有助于减少癌症细胞的扩散.此外,该化合物在临床前研究中显示了它有效穿透细胞和显示选择性抑制的能力的希望.该化合物的典型特征是其分子结构,其中包括有助于其生物活动的具体功能组.随着研究的继续进行,SGC-CBP30可能提供对各种疾病中蛋白的新疗法的开发的见解.
- 英文名称(S)-4-(1-(2-(3-Chloro-4-Methoxyphenethyl)-5-(3,5-Dimethylisoxazol-4-yl)-1H-Benzo[d]Imidazol-1-yl)Propan-2-yl)Morpholine
- 中文名称2-[2-(3-氯-4-甲氧基苯基)乙基]-5-(3,5-二甲基-4-异恶唑基)-1-[(2S)-2-(4-吗啉基)丙基]-1H-苯并咪唑
- IUPAC名称(S)-4-(1-(2-(3-chloro-4-methoxyphenethyl)-5-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-1-yl)propan-2-yl)morpholine
- 其它别名Sgc-Cbp30; 2-[2-(3-Chloro-4-Methoxyphenyl)Ethyl]-5-(Dimethyl-1,2-Oxazol-4-yl)-1-[(2S)-2-(Morpholin-4-yl)Propyl]-1H-1,3-Benzodiazole; 2-[2-(3-Chloro-4-Methoxyphenyl)Ethyl]-5-(3,5-Dimethyl-4-Isoxazolyl)-1-[(2S)-2-(4-Morpholinyl)Propyl]-1H-Benzimidazole Sgc-Cbp30; 2-[2-(3-Chloro-4-Methoxyphenyl)Ethyl]-5-(3,5-Dimethyl-1,2-Oxazol-4-yl)-1-[(S)-2-(Morpholin-4-yl)Propyl]-1H-Benzimidazole; 2-[2-(3-Chloro-4-Methoxyphenyl)Ethyl]-5-(3,5-Dimethyl-4-Isoxazolyl)-1-[(2S)-2-(4-Morpholinyl)Propyl]-1H-Benzimidazole; (S)-4-(1-(2-(3-Chloro-4-Methoxyphenethyl)-5-(3,5-Dimethylisoxazol-4-yl)-1H-Benzo[d]Imidazol-1-; Sgcbp30
- CAS编号1613695-14-9
- MFCD编号:MFCD26792586
- EINECS号:106-820-6
- 分子式:C28H33ClN4O3分子量:509.05
- 产品CID: 814700
- 同类组份化合物CAS1613695-14-9 (free base)SGC-CBP30 HCl
物理性质
- 沸点678.0±55.0 °C(预测)
- 密度1.28±0.1 g/cm3(预测)
- pKa:6.98±0.10(预测)
- PSA:65.55
- LogP:5.4139
- 溶解性≥20.05 mg/mL In DMSO; ≥25.7 mg/mL In Etoh With Ultrasonic; ≥4.67 mg/mL In H2O 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CREBBP/EP300抑制剂的有选择性的高效化学探测器,在无细胞试验中,IC50值分别为21纳米和38纳米;它在U2OS和HELA细胞中表现出中度的细胞毒性,在BRD4(1)和BRT4(2)中,CBB分别为40倍和250倍.
MSDS等安全信息
欧盟法规
C&L通报上下游产品
4-Bromo-1-fluoro-2-nitrobenzene 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 4-(4-fluoro-3-nitrophenyl)-3,5-dimethyl-1,2-oxazole 3-(3-chloro-4-methoxyphenyl)propionic acid合成工艺路线路线简述
海关参考信息
- 2902600000-乙苯
2903919090-氯苯
2909110000-乙醚
2922110001-单乙醇胺 - 💡 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
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 X, Chen X, Chen Z, Xu W, Lai R, Qiu X, Zeng Z, Wang C, Wang Z, Wang J. Integrated Anchored Stapling and Hierarchical Dynamics: MSICDA-Driven CREBBP Bromodomain Inhibition. J Chem Inf Model. 2024 Jun 24;64(12):4739-4758. doi: 10.1021/acs.jcim.4c00381. Epub 2024 Jun 11. 56(5):E17. doi: 10.3171/2024.2.FOCUS244. 9(11):2340-2357. doi: 10.1021/acsinfecdis.3c00431. Epub 2023 Oct 31.
4: Zhang Z, Zhu Y. ANRGs impact on gastric cancer progression and drug efficacy: A comprehensive study. Medicine (Baltimore). 2023 Oct 27;102(43):e34861. doi: 10.1097/MD.0000000000034861.
5: Yin J, Zhao Z, Huang J, Xiao Y, Rehmutulla M, Zhang B, Zhang Z, Xiang M, Tong Q, Zhang Y. Single-cell transcriptomics reveals intestinal cell heterogeneity and identifies Ep300 as a potential therapeutic target in mice with acute liver failure. Cell Discov. 2023 Jul 25;9(1):77. doi: 10.1038/s41421-023-00578-4.
合成参考文献
参考文献:10.1016/j.ejmech.2018.04.034
摘要:Xue X, Zhang Y, Wang C, Zhang M, Xiang Q, Wang J, Wang A, Li C, Zhang C, Zou L, Wang R, Wu S, Lu Y, Chen H, Ding K, Li G, Xu Y. Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. European Journal of Medicinal Chemistry. 2018 May;152():542–59. doi: 10.1016/j.ejmech.2018.04.034.
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