CAS: 154248-99-4; N-((N-Methyl-N-((2-Isopropyl-4-Thiazolyl)Methyl)Amino)Carbonyl)-L-Valinemethylester

该化合物是一个合成化合物,其结构复杂,包括一个硫酸环和氨酸衍生物.该物质具有甲基的功能组,有助于其溶解性和再活性.异丙基和硫酸混合物的存在表明潜在的生物活动,可能影响其与生物目标的互动.该化合物可能表现出氨酸衍生物的典型特性,例如极地和能够形成氢结,这可能影响到其药性皮和生物利用率.此外,氮原子的甲基化可能会提高脂性,影响其通过生物膜的渗透性.

英文名称N-((N-Methyl-N-((2-Isopropyl-4-Thiazolyl)Methyl)Amino)Carbonyl)-L-Valinemethylester
中文名称N-((N-甲基-N-((2-异丙基-4-噻唑基)甲基)氨基)甲酰)-L-缬氨酸甲酯
IUPAC名称methyl (((2-isopropylthiazol-4-yl)methyl)(methyl)carbamoyl)-L-valinate
其它别名N-((N-Methyl-N-((2-Isopropyl-4-Thiazolyl)Methyl)Amino)Carbonyl)-L-Valine Methyl Ester; N-[[methyl[[2-(1-Methylethyl)-4-Thiazolyl]Methyl]Amino]Carbonyl]-L-Valine Methyl Ester; L-Valine, N-[[methyl[[2-(1-Methylethyl)-4-Thiazolyl]Methyl]Amino]Carbonyl]-, Methyl Ester; Methyl(2S)-3-Methyl-2-[[methyl-[(2-Propan-2-Yl-1,3-Thiazol-4-Yl)Methyl]Carbamoyl]Amino]Butanoate; N-((N-Methyl-N-((2-Isopropyl-4-Thiazolyl)Methyl)Amino)Carbonyl)-L-Valine Methyl Ester Usp/ep/bp; N-[methyl-(2-Isopropyl-4-Thiazolylmethyl)Amino-Carbonyl]-L-Valine Methyl Ester; N-[n-Methyl-N-[[(2-Isopropyl-4-Thiazolyl) Methyl] Amino] Carbonyl]-L-Valine Methyl Ester (Mta-I)
CAS编号154248-99-4
MFCD编号:MFCD07369529
分子式:C15H25N3O3S
分子量:327.45
产品CID: 760444
产品分类生物化工 → 氨基酸及其衍生物 → 缬氨酸类衍生物

相似结构搜索
InChIKey: WMOQPDKCUZISQT-LBPRGKRZSA-N
InChI=1S/C15H25N3O3S/c1-9(2)12(14(19)21-6)17-15(20)18(5)7-11-8-22-13(16-11)10(3)4/h8-10,12H,7H2,1-6H3,(H,17,20)/t12-/m0/s1…
计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数7.0

MSDS等安全信息

上下游产品

合成工艺路线路线简述

合成目标产物 N-((N-Methyl-N-((2-Isopropyl-4-Thiazolyl)Methyl)Amino)Carbonyl)-L-Valine Methyl Ester 主要起始原料 Phenoxycarbonyl-L-Valine And 2-Isopropyl-4-(Methylaminomethyl)Thiazole
(文献来源)合成步骤主要原料 Phenoxycarbonyl-L-Valine 和 2-Isopropyl-4-(Methylaminomethyl)Thiazole

4-(Chloromethyl)-2-Isopropylthiazole Hydrochloride置于4-二甲氨基吡啶,三乙胺体系中,用四氢呋喃,水用作溶剂,化学反应 3.0H,反应生成N-((N-甲基-N-((2-异丙基-4-噻唑基)甲基)氨基)甲酰)-L-缬氨酸甲酯
参考文献:Discovery Of Ritonavir,A Potent Inhibitor Of Hiv Protease With High Oral Bioavailability And Clinical Efficacy
标题:Discovery Of Ritonavir,A Potent Inhibitor Of Hiv Protease With High Oral Bioavailability And Clinical Efficacy
摘要:The Structure-Activity Studies Leading To The Potent And Clinically Efficacious Hiv Protease Inhibitor Ritonavir Are Described. Beginning With The Moderately Potent And Orally Bioavailable Inhibitor A-80987,Systematic Investigation Of Peripheral (P3 And P2') Heterocyclic Groups Designed To Decrease The Rate Of Hepatic Metabolism Provided Analogues With Improved Pharmacokinetic Properties After Oral Dosing In Rats. Replacement Of Pyridyl Groups With Thiazoles Provided Increased Chemical Stability Toward Oxidation While Maintaining Sufficient Aqueous Solubility For Oral Absorption,Optimization Of Hydrophobic Interactions With The Hiv Protease Active Site Produced Ritonavir,With Excellent In Vitro Potency (Ec50 = 0.02 Mu M) And High And Sustained Plasma Concentrations After Oral Administration In Four Species. Details Of The Discovery And Preclinical Development Of Ritonavir Are Described.
Doi:10.1021/jm970636+

海关参考信息

2905121000-正丙醇
2905130000-正丁醇
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:CN-105753806-A
优先权日:2016-02-02
标题 :A kind of heterogeneous synthesis method and application of ritonavir intermediate

专利号:CN-119241467-A
优先权日:2024-08-26
标题:Synthesis method of N- [ N-methyl-N- [ (2-isopropyl-4-thiazolyl) methyl ] aminocarbonyl ] -L-valine and methyl ester thereof