CAS: 425386-60-3; (S)-2-Hydroxy-3-Methyl-N-((S)-1-(((S)-3-Methyl-2-Oxo-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepin-1-yl)Amino)-1-Oxopropan-2-yl)Butanamide
该化合物是一个小分子,具有伽马射线抑制剂的作用,主要调查该分子在治疗阿尔茨海默氏病方面的潜在治疗应用,办法是调节氨基质前体蛋白的处理,减少与该疾病的病因诱发有关的氨基类-贝塔的产量.Semagacestat的特征是能够跨越血脑屏障,使其成为中央...
- 英文名称(S)-2-Hydroxy-3-Methyl-N-((S)-1-(((S)-3-Methyl-2-Oxo-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepin-1-yl)Amino)-1-Oxopropan-2-yl)Butanamide
- 中文名称司马西特
- IUPAC名称(S)-2-hydroxy-3-methyl-N-((S)-1-(((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)amino)-1-oxopropan-2-yl)butanamide
- 其它别名Semagacestat [mi]; Pkxwxxpnhiwqhw-Rcbqfdqvsa-N; Butanamide, 2-Hydroxy-3-Methyl-N-((1S)-1-Methyl-2-Oxo-2-(((1S)-2,3,4,5-Tetrahydro-3- Methyl-2-Oxo-1H-3-Benzazepin-1-yl)Amino)Ethyl)-, (2S)-; Dadzin
- CAS编号425386-60-3
- MFCD编号:MFCD25542369
- FDA UNII编号:3YN0602W4W
- 分子式:C19H27N3O4分子量:361.44
- 产品CID: 1438256
- 同类组份化合物CASSemagacestat dihydrate425386-60-3 (free base)
- 产品分类生物化工 → 抑制剂 → 蛋白酶体(Proteases)
物理性质
- 熔点208-212 °C
- 沸点681.9±55.0 °C at 760 mmHg
- 闪点366.2±31.5 °C
- 密度1.2±0.1 g/cm3
- pKa:12.97±0.20(预测)
- PSA:98.74
- LogP:2.23
- 折射率1.576
- 蒸汽压0.0±2.2 mmHg at 25°C
- 溶解性DMSO (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
- 外观形态白色固体
- 储存条件2-8°C
- 产品应用该化合物是为治疗阿尔茨海默氏病而研制的伽马秘书酶抑制剂;它减少了在体外和体外的氨基甲状腺(AETA)(AΒ)生产(包括AΒ42,AΒ40和AΒ38);已在第3阶段老年痴呆病临床试验中进行了评价.
上下游产品
(S)-2-Hydroxy-3-methylbutanoic acid 14H19N3O2*ClHC14H19N3O2*ClH 4O3S*C14H19N3O2CH4O3S*C14H19N3O2合成工艺路线路线简述
📜Semagacestat Dihydrate置于正庚烷体系中,用 异丙醇 作为反应溶剂,化学反应 6.0H,反应生成 司马西特
参考文献:Novel Crystalline Compound And A Process For Its Preparation
标题:Novel Crystalline Compound And A Process For Its Preparation
摘要:一种具有改善的流动性和药物负载性质的晶体形式(2S)-2-羟基-3-甲基-N-[(1S)-1-甲基-2-氧代-2-[[(1S)-2,3,4,5-四氢-3-甲基-2-氧代-1H-3-苯并氮杂环-1-基]氨基]乙基]-丁酰胺无水物ii型,以及其制备方法.
海关参考信息
- 2902600000-乙苯
2905122000-异丙醇
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
专利信息
专利号:JP-4116437-B2
优先权日:2000-11-17
标 题:Lactam compounds that inhibit the release and / or synthesis of β-amyloid peptide
专利号:DE-60126132-T2
优先权日:2000-11-17
标 题 :LACTAM COMPOUND TO INHIBIT THE RELEASE OR SYNTHESIS OF BETA AMYLOID PEPTIDE
专利号:CN-102690231-A
优先权日:2012-04-11
标题:Synthesis method of potential drug semacet for treating Alzheimer's disease
专利号:CN-102690231-B
优先权日:2012-04-11
标 题 :Synthesis method of potential drug semacet for treating Alzheimer's disease
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: Zhou X, Liu Z, Bai G, Dazhang B, Zhao P, Wang X, Jiang G. Bioinformatics analysis of the potential receptor and therapeutic drugs for Alzheimer's disease with comorbid Parkinson's disease. Front Aging Neurosci. 2024 Jun 4;16:1411320. doi: 10.3389/fnagi.2024.1411320.
2: Wang D, Ling Y, Harris K, Schulz PE, Jiang X, Kim Y. Characterizing Treatment Non-responders vs. Responders in Completed Alzheimer's Disease Clinical Trials. medRxiv [Preprint]. 2023 Oct
30:2023.10.27.23297685. doi: 10.1101/2023.10.27.23297685.
合成参考文献
参考文献:10.1007/bf03327445
摘要:Panza F, Solfrizzi V, Frisardi V, Imbimbo BP, Capurso C, D’Introno A, Colacicco AM, Seripa D, Vendemiale G, Capurso A, Pilotto A. Beyond the neurotransmitter-focused approach in treating Alzheimer’s Disease: drugs targeting β-amyloid and tau protein. Aging Clinical and Experimental Research. 2009 Dec;21(6):386–406. doi: 10.1007/bf03327445.
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