CAS: 2259648-80-9; (S)-4-(4-(4-(((2-(2,6-Dioxopiperidin-3-yl)-1-Oxoisoindolin-4-yl)Oxy)Methyl)Benzyl)Piperazin-1-yl)-3-Fluorobenzonitrile

该化合物是一个新颖的幼虫E3ligmodulator(CELMOD),正在调查其在肿瘤学中的潜在治疗应用,特别是血解恶性恶性肿瘤的治疗应用,它展示了与幼虫的紧密结合,导致关键基基质蛋白(如Ikaros和Aiolos)有针对性地降解,这些蛋白对于癌症细胞的生存和扩散至关重要.临床研究表明,与早期的免疫激素药物(IMDs)相比,Mizgdomide显示出更高的威力和功效,并有可能在IMiD抗病模型中进行活动.其优化的药性活性皮肤特征和减少的离线效应可以提供一个更广泛的治疗窗口.持续进行的临床试验旨在评估其在复发性/抗性多细胞瘤和其他血癌中的安全性和功效.

英文名称(S)-4-(4-(4-(((2-(2,6-Dioxopiperidin-3-yl)-1-Oxoisoindolin-4-yl)Oxy)Methyl)Benzyl)Piperazin-1-yl)-3-Fluorobenzonitrile
中文名称(S)-4-(4-(4-(((2-(2,6-二氧代哌啶-3-基)-1-氧代异吲哚啉-4-基)氧基)甲基)苄基)哌嗪-1-基)-3-氟苯甲腈
IUPAC名称(S)-4-(4-(4-(((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)oxy)methyl)benzyl)piperazin-1-yl)-3-fluorobenzonitrile
其它别名Benzonitrile, 4-(4-((4-(((2-((3S)-2,6-Dioxo-3-Piperidinyl)-2,3-Dihydro-1-Oxo-1H-Isoindol-4-yl)Oxy)Methyl)Phenyl)Methyl)-1-Piperazinyl)-3-Fluoro- ; Benzonitrile, 4-(4-((4-(((2-((3S)-2,6-Dioxo-3-Piperidinyl)-2,3-Dihydro-1-Oxo-1Hisoindol-4-yl)Oxy)Methyl)Phen
CAS编号2259648-80-9
MFCD编号:MFCD32263041
FDA UNII编号:LA88IH4O02
分子式:C32H30FN5O4分子量:567.61
产品CID: 1164172

相似结构搜索
InChIKey: YTINZZFBHWSAGL-NDEPHWFRSA-N
InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,1
计算化学: 氢键受体数8.0氢键供体数1.0可旋转键数7.0

物理性质

沸点833.0±65.0 °C(预测)
密度1.41±0.1 g/cm3(预测)
pKa:10.70±0.40(预测)
LogP:2.9
溶解性DMSO: Soluble
外观形态白色至类白色固体
储存条件储存在 -20°C
产品应用该化合物用于分子胶.MEZGDOMIDIDE显示与的高度亲近性,导致强效抗血糖活性.

MSDS等安全信息

警示词Warning
危险描述H302-H315-H319-H335-
防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338-

合成工艺路线路线简述

海关参考信息

2905110000-甲醇
2906210000-苄醇
2912110000-甲醛
2912120000-乙醛
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专利信息

专利号:US-2024261416-A1
优先权日:2023-01-31
标题:Synthesis of novel cereblon e3 ligase ligands, compounds formed thereby, and pharmaceutical compositions containing them
发明人：TANG WEIPING; XIE HAIBO; WU YUNXIANG; LIAO JUNZHUO; LI CHUNRONG; TANDON IRA; TANG HUA
权利人:WISCONSIN ALUMNI RES FOUND
摘要:Provided herein are achiral cereblon (CRBN) ligands based on phenyl dihydrouracil that have optimal binding to CRBN without having chiral carbons. Also provided herein are the proteolysis targeting chimeras (PROTACs) comprising the CRBN ligands and a protein binder, pharmaceutical compositions containing the PROTACs, and methods of treating diseases using the PROTACs.

其他信息查阅

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实用工具

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✅ COA系统入驻 | 共享模式

主要参考文献

1: Bourgeois W, Cutler JA, Aubrey BJ, Wenge D, Perner F, Martucci C, Henrich JA, Klega K, Nowak RP, Donovan KA, Boileau M, Wen Y, Hatton C, Apazidis AA, Olsen SN, Kirmani N, Pikman Y, Pollard JA, Perry JA, Sperling AS, Ebert BL, McGeehan GM, Crompton BD, Fischer ES, Armstrong SA. Mezigdomide is effective alone and in combination with Menin inhibition in pre-clinical models of KMT2A-r and NPM1c AML. Blood. 2023 Dec
14:blood.2023021105. doi: 10.1182/blood.2023021105. Epub ahead of print. 22(11):1049-1071. doi: 10.1080/14740338.2023.2274420. Epub 2023 Nov 28. 12(10):1473-1484. doi: 10.1002/psp4.13024. Epub 2023 Sep 13.
4: Mezigdomide Data Show CELMoD Potential. Cancer Discov. 2023 Nov 1;13(11):2300. doi: 10.1158/2159-8290.CD-NB2023-0065. CC-92480-MM-001 Study Investigators. Mezigdomide plus Dexamethasone in Relapsed and Refractory Multiple Myeloma. N Engl J Med. 2023 Sep 14;389(11):1009-1022. doi: 10.1056/NEJMoa2303194. Epub 2023 Aug 30. 389(11):1046-1050. doi: 10.1056/NEJMe2307370. Epub 2023 Aug 30. 19(4-6):235-246. doi: 10.1080/14789450.2022.2142564. Epub 2022 Nov 9.