CAS: 979-92-0; (S)-2-Amino-4-((((2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-yl)-3,4-Dihydroxytetrahydrofuran-2-yl)Methyl)Thio)Butanoic Acid

• 英文名称(S)-2-Amino-4-((((2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-yl)-3,4-Dihydroxytetrahydrofuran-2-yl)Methyl)Thio)Butanoic Acid
• 中文名称S-(5'-腺苷)-L-高半胱氨酸
• IUPAC名称S-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-L-homocysteine
• 其它别名Adenosine,5'-S-(3-amino-3-carboxypropyl)-5'-thio-, L- (8CI); Hom°Cysteine, S-adenosyl-,L- (6CI,7CI); Adenosyl-L-hom°Cysteine; Adenosylhom°Cysteine; L-S-Adenosylhom°Cysteine; S-(5'-Adenosyl)-L-hom°Cysteine; S-Adenosyl-L-hom°Cysteine; S-Adenosylhom°Cysteine
• CAS编号979-92-0
• MFCD编号:MFCD00037388
• EINECS号:213-560-8
• 分子式:C14H20N6O5S分子量:384.41
• 产品CID: 2023882
• 产品分类有机原料→生命科学→氨基酸及其衍生物→半胱氨酸及其衍生物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N
• ZJUKTBDSGOFHSH-WFMPWKQPSA-N
• 计算化学: 氢键受体数11.0氢键供体数5.0可旋转键数7.0

相似化合物

物理性质

• 熔点209-211°C
• 沸点787.5°C at 760 mmHg
• 闪点430°C
• 密度1.9±0.1 g/cm3
• pKa:2.22±0.10(预测)
• PSA:182.63
• LogP:-1.4371
• 折射率1.839
• 蒸汽压0.0±2.9 mmHg at 25°C
• 溶解性1 M Hcl: Soluble19.60 - 20.40mg/mL, Clear To Slightly Hazy, Colorless To Faintly Yellow
• 外观形态类白色至棕色结晶
• 储存条件-20°C
• 产品应用该化合物是METTL3-METL14热二二综合体(MET L3-14)的抑制剂,IC50值为0.9微米.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 合成目标产物 5'-Deoxy-S-Adenosyl-L-Homocysteine 主要起始原料 5'-Chloro-5'-Deoxyadenosine
• 29908-03-0 = 979-92-0
  反应条件:1.1 Reagents: Dithiothreitol Catalysts: Oxsb Radical Sam Enzyme (Cobalamin-Dependent) Solvents: Water; 7 H,Ph 7.5,Rt
  标题:Biosynthesis Of Oxetanocin-A Includes A B12-Dependent Radical Sam Enzyme That Can Catalyze Both Oxidative Ring Contraction And The Demethylation Of Sam
  作者:Zhong,Aoshu; Lee,Yu-Hsuan; Liu,Yung-Nan; Liu,Hung-Wen
  参考文献:Biochemistry 日期:2021 卷标:60(7) 页码:537-546]
  
  892-48-8 + 6027-13-0 = 979-92-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 10 H,60 - 65 °C
  标题:Reductive Cleavage Of Sulfoxide And Sulfone By Two Radical S-Adenosyl-L-Methionine Enzymes
  作者:Mandalapu,Dhanaraju; Ji,Xinjian; Zhang,Qi
  参考文献:Biochemistry 日期:2019 卷标:58(1) 页码:36-39]
  
  29908-03-0 = 979-92-0
  反应条件:1.1 Reagents: Geranyl Diphosphate,Magnesium Chloride Catalysts: Methyltransferase Solvents: Water; Ph 7.4
  标题:Unprecedented Cyclization Catalyzed By A Cytochrome P450 In Benzastatin Biosynthesis
  作者:Tsutsumi,Hayama; Katsuyama,Yohei; Izumikawa,Miho; Takagi,Motoki; Fujie,Manabu; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(21) 页码:6631-6639]
  
  454-29-5 + 58-61-7 = 979-92-0
  反应条件:1.1 Reagents: Nad,Sodium Pyruvate Catalysts: L-Lactate Dehydrogenase,Adenosylhomocysteinase; 12 H,Ph 8.0,85 °C
  标题:A Thermostable S-Adenosylhomocysteine Hydrolase From Thermotoga Maritima: Properties And Its Application On S-Adenosylhomocysteine Production With Enzymatic Cofactor Regeneration
  作者:Qian,Guojun; Chen,Caiping; Zhou,Rong; He,Yanbin; Shao,Weilan
  参考文献:Enzyme And Microbial Technology 日期:2014 页码:64-65]
  
  454-29-5 + 58-61-7 = 979-92-0 [标题:Reaction Conditions
  标题:High Yield Production Of S-Adenosyl-L-Homocysteine With Microbial Cells As The Catalyst
  作者:Shimizu,Sakayu; Shiozaki,Shozo; Yamada,Hideaki
  参考文献:Journal Of Biotechnology 日期:1986 卷标:4(2) 页码:81-90]
  
  454-29-5 + 58-61-7 = 979-92-0 [标题:Reaction Conditions
  标题:Production Of S-Adenosyl-L-Homocysteine By Bacterial Cells With A High Content Of S-Adenosylhomocysteine Hydrolase: Utilization Of A Racemic Mixture Of Homocysteine As The Substrate
  作者:Shimizu,Sakayu; Ohshiro,Takashi; Shiozaki,Shozo; Yamada,Hideaki
  参考文献:Journal Of Biotechnology 日期:1986 卷标:4(2) 页码:91-100]
  
  = 979-92-0
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran,Water; 3 H,Rt
  标题:Tetrabutylammonium Fluoride As A Mild And Versatile Reagent For Cleaving Boroxazolidones To Their Corresponding Free α-Amino Acids
  作者:Poulie,Christian B. M.; Bunch,Lennart
  参考文献:European Journal Of Organic Chemistry 日期:2017 卷标:2017(11) 页码:1475-1478]
  
  60-18-4 + 1434880-11-1 = 979-92-0 + 1336092-87-5
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Methyltransferase Solvents: Water; 24 H,Ph 7,30 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Methyltransferases: Green Catalysts For Friedel-Crafts Alkylations
  作者:Tengg,Martin; Stecher,Harald; Offner,Lisa; Plasch,Katharina; Anderl,Felix; Et Al
  参考文献:Chemcatchem 日期:2016 卷标:8(7) 页码:1354-1360]
  
  56-65-5 + 63-68-3 = 979-92-0
  反应条件:1.1 Reagents: L-Tyrosine,Potassium Chloride,Magnesium Chloride Catalysts: Salicylic Acid (Reaction Products With Melamine,Zinc And Imidazoles),Melamine (Reaction Products With Salicylic Acid,Zinc And Imidazoles),2-Methylimidazole (Reaction Products With Melamine,Zinc And Salicylic Acid),Zinc Solvents: Water; 4 H,Ph 8,37 °C
  标题:Hydrogel-Metal-Organic-Framework Nanoparticle Composites For Immobilization Of Active Biomacromolecules
  作者:Wang,Wenyan; Zheng,Shuo; Hong,Yinhui; Xu,Xinlei; Feng,Xiang; Et Al
  参考文献:Acs Applied Nano Materials 日期:2022 卷标:5(2) 页码:2222-2230]
  
  29908-03-0 = 979-92-0
  反应条件:1.1 Catalysts: Methyltransferase,Adenosyl-Chloride Synthase Solvents: Water; 1 H,37 °C; 5 Min,80 °C
  标题:A Tandem Chemoenzymatic Methylation By S-Adenosyl-L-Methionine
  作者:Lipson,Joseph M.; Thomsen,Marie; Moore,Bradley S.; Clausen,Rasmus P.; La Clair,James J.; Et Al
  参考文献:Chembiochem 日期:2013 卷标:14(8) 页码:950-953]
  
  29908-03-0 = 979-92-0
  反应条件:1.1 Catalysts: Homocysteine S-Methyltransferase
  标题:Enzymatic Analysis Method For Adomet-Dependent Methyltransferases
  作者:Gu,Jin-Song; Tan,Xiao-Jun
  参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2012 卷标:33(3) 页码:521-525]
  
  29908-03-0 = 979-92-0 [标题:Reaction Conditions
  标题:Targeted Labeling Of Dna By Methyltransferase-Directed Transfer Of Activated Groups (Mtag)
  作者:Lukinavicius,Grazvydas; Lapiene,Vidmantas; Stasevskij,Zdislav; Dalhoff,Christian; Weinhold,Elmar; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2007 卷标:129(10) 页码:2758-2759]
  
  53830-48-1 = 979-92-0
  反应条件:1.1 Catalysts: Dna Methyltransferase
  标题:Direct Transfer Of Extended Groups From Synthetic Cofactors By Dna Methyltransferases
  作者:Dalhoff,Christian; Lukinavicius,Grazvydas; Klimasauskas,Saulius; Weinhold,Elmar
  参考文献:Nature Chemical Biology 日期:2006 卷标:2(1) 页码:31-32

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
• 💡 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

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管