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甲酰高半胱氨酸 | 979-92-0

甲酰高半胱氨酸
SAH
979-92-0
C14H20N6O5S
384.410800933838
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:甲酰高半胱氨酸结构式
24891441
甲酰高半胱氨酸价格
简介
SAH 是氨基酸衍生物和几种代谢途径中的调节剂。 它是半胱氨酸和腺苷合成的中间体。SAH 是 METTL3-METTL14 异二聚体复合物 (METTL3-14) 的抑制剂,IC50 为 0.9 μM。
名称和标识符
MDL MFCD00037388
InChIKey ZJUKTBDSGOFHSH-WFMPWKQPSA-N
Inchi 1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
SMILES O[C@@H]1[C@H](O)[C@@H](CSCC[C@H](N)C(=O)O)O[C@H]1N1C=NC2C(=NC=NC1=2)N
别名信息
- 中文别名 -
  • S-(5’-腺苷)-L-高半胱氨酸
  • S-(5´-腺苷)-L-高半胱氨酸
  • 4-氨基-3,5-二氯-α-溴代苯乙酮
  • S-(5'-腺苷)-L-高半胱氨酸
  • S-(5'-腺苷基)-L-高半胱氨酸
  • S-腺苷-L-高半胱氨酸
  • S-腺苷-L-高半胱氨酸 USP标准品
  • S-腺苷高半胱氨酸
  • 甲酰高半胱氨酸
- 英文别名 -
  • S-(5'-deoxyadenosin-5'-yl)-L-Homocysteine
  • S-(5-Adenosyl)-L-homocysteine
  • 5'-DEOXY-S-ADENOSYL-L-HOMOCYSTEINE
  • L-Homocysteine,S-(5'-deoxyadenosin-5'-yl)-
  • S-(5?-Adenosyl)-L-homocysteine
  • S-(5'-Adenosyl)-L-homocysteine
  • S-Adenosylhomocysteine
  • S-ADENOSYL-L-HOMOCYSTEINE
  • (2S)-adenosylhomocysteine
  • 5'-DEOXY-S-ADENOSYL
  • Adenosylhomocysteine
  • AdenosylhoMocysteine-13C5
  • Adenosyl-L-homocysteine
  • ADOHCY
  • HOMOCYSTEINE,S-ADENOSYL
  • hpce
  • L-adenosyl-L-homocysteine
  • L-S-AdenosylhoMocysteine
  • 5′-Deoxy-S-adenosyl-L-homocysteine
  • S-(5′-Adenosyl)-L-homocysteine
  • S-(5′-Deoxyadenosine-5′)-L-homocysteine
  • SAH
  • SAH (S-Adenosylhomocysteine)
  • Adenosine, 5′-S-(3-amino-3-carboxypropyl)-5′-thio-, L- (8CI)
  • L
  • Homocysteine, S-adenosyl-, L- (6CI, 7CI)
  • S-(5′-Deoxyadenosin-5′-yl)-L-homocysteine (ACI)
  • L-S-Adenosylhomocysteine
  • S-Adenosyl-L-homocysteine
  • AdoHcy
  • S-(5'-adenosyl)-L-homocysteine
  • S-ADENOSYL-L-HOMOCYSTEINE [USP-RS]
  • S-Adenosyl Homocysteine
  • BRN 5166233
  • (S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid
  • US8895245, S-Adenosyl-L-homocysteine (SAH)
  • L-5'-S-(3-amino-3-carboxypropyl)-5'-thior-Adenosine
  • NCGC00263623-01
  • C14H20N6O5S
  • Adenosine, 5'-S-(3-amino-3-carboxypropyl)-5'-thio-, L- (8CI)
  • Q307434
  • UNII-8K31Q2S66S
  • CCG-208703
  • S-(5'-Deoxyadenosine-5')-L-homocysteine
  • adenosylhomo-cys
  • BDBM50009672
  • DB01752
  • 8K31Q2S66S
  • 1nw7
  • CHEMBL418052
  • S-[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl]-L-homocysteine
  • S-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-L-homocysteine
  • L-Homocysteine, S-(5'-deoxyadenosin-5'-yl)-
  • adenosine, 5'-S-[(3S)-3-amino-3-carboxypropyl]-5'-thio-
  • 2h23
  • L-Homocysteine, S-(5'-deoxyadenosin-5'-yl)- (9CI)
  • SCHEMBL8836
  • adenosylhomocysteine
  • 1aqi
  • CHEBI:16680
  • S-Adenosyl-L-homocysteine (SAH)
  • (S)-2-Amino-4-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)butanoic acid
  • bmse000289
  • D-Ribitol, 5-S-(3-amino-3-carboxypropyl)-1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-5-thio-, (1S,5(S))-
  • S-Adenosyl-L-homocysteine, United States Pharmacopeia (USP) Reference Standard
  • S-adenosyl-L-homocysteine
  • S-(5'-deoxyadenosin-5'-yl)-L-homocysteine
  • MFCD00037388
  • 1jqd
  • S-(5''-deoxyadenosin-5''-yl)-L-homocysteine
  • 979-92-0
  • Formycinylhomocysteine
  • S7868
  • 2bqz
  • (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
  • (S)-5'-(S)-(3-Amino-3-carboxypropyl)-5'-thioadenosine
  • AS-64957
  • S-(5''-adenosyl)-L-homocysteine
  • A858597
  • NCGC00263623-03
  • S-(5'-Adenosyl)-L-homocysteine, crystalline
  • S-adenosyl-homocysteine
  • CS-0015632
  • S-adenosylhomocysteine
  • 1s4d
  • FT-0771999
  • 2-S-adenosyl-L-homocysteine
  • AKOS022184395
  • NS00014918
  • GTPL5265
  • C00021
  • (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid
  • L-S-adenosyl-Homocysteine
  • 5'-S-(3-amino-3-carboxypropyl)-5'-thio-L-Adenosine
  • HY-19528
  • EINECS 213-560-8
  • 5'-Deoxy-S-adenosyl-L-homocysteine
  • 1qan
  • Homocysteine, S-adenosyl-, L- (6CI,7CI)
  • (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
  • DTXSID30895860
  • adenosyl-homo-cys
  • NCGC00263623-02
  • (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid
物化性质
实验特性
LogP -0.15560
PSA 207.93000
折射率 1.839
沸点 787.5°C at 760 mmHg
熔点 210-216 ºC
闪点 430°C
溶解度 微溶 (5.4 g/L) (25 ºC),
颜色与性状 无色簇状结晶
溶解性 溶于热水,微溶于冷水、乙醇,极微溶于乙醚。
密度 1.91±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 384.12200
氢键供体数量 5
氢键受体数量 11
可旋转化学键数量 7
同位素质量 384.122
重原子数量 26
复杂度 504
同位素原子数量 0
确定原子立构中心数量 5
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -3.5
互变异构体数量 3
表面电荷 0
拓扑分子极性表面积 208
国际标准相关数据
EINECS 213-560-8
海关数据
海关编码 2934999090
海关数据

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

生产方法和用途
用途 大多数生物转甲基反应中的强抑制剂。
合成路线

合成路线:1 步

反应条件:
参考文献:
Reductive Cleavage of Sulfoxide and Sulfone by Two Radical S-Adenosyl-L-methionine Enzymes
Mandalapu, Dhanaraju; Ji, Xinjian; Zhang, Qi, Biochemistry, 2019, 58(1), 36-39

合成路线:1 步

反应条件:
参考文献:
Hydrogel-Metal-Organic-Framework Nanoparticle Composites for Immobilization of Active Biomacromolecules
Wang, Wenyan; Zheng, Shuo; Hong, Yinhui; Xu, Xinlei; Feng, Xiang; et al, ACS Applied Nano Materials, 2022, 5(2), 2222-2230

合成路线:1 步

反应条件:
参考文献:
Biosynthesis of Oxetanocin-A Includes a B12-Dependent Radical SAM Enzyme That Can Catalyze both Oxidative Ring Contraction and the Demethylation of SAM
Zhong, Aoshu; Lee, Yu-Hsuan; Liu, Yung-nan; Liu, Hung-wen, Biochemistry, 2021, 60(7), 537-546

合成路线:1 步

参考文献:
High yield production of S-adenosyl-L-homocysteine with microbial cells as the catalyst
Shimizu, Sakayu; Shiozaki, Shozo; Yamada, Hideaki, Journal of Biotechnology, 1986, 4(2), 81-90

合成路线:1 步

反应条件:
参考文献:
Tetrabutylammonium fluoride as a mild and versatile reagent for cleaving boroxazolidones to their corresponding free α-amino acids
Poulie, Christian B. M.; Bunch, Lennart, European Journal of Organic Chemistry, 2017, 2017(11), 1475-1478

合成路线:1 步

反应条件:
参考文献:
A Tandem Chemoenzymatic Methylation by S-Adenosyl-L-methionine
Lipson, Joseph M.; Thomsen, Marie; Moore, Bradley S.; Clausen, Rasmus P.; La Clair, James J.; et al, ChemBioChem, 2013, 14(8), 950-953

合成路线:1 步

参考文献:
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
Shimizu, Sakayu; Ohshiro, Takashi; Shiozaki, Shozo; Yamada, Hideaki, Journal of Biotechnology, 1986, 4(2), 91-100

合成路线:1 步

反应条件:
参考文献:
Unprecedented Cyclization Catalyzed by a Cytochrome P450 in Benzastatin Biosynthesis
Tsutsumi, Hayama; Katsuyama, Yohei; Izumikawa, Miho; Takagi, Motoki; Fujie, Manabu; et al, Journal of the American Chemical Society, 2018, 140(21), 6631-6639

合成路线:1 步

反应条件:
参考文献:
Direct transfer of extended groups from synthetic cofactors by DNA methyltransferases
Dalhoff, Christian; Lukinavicius, Grazvydas; Klimasauskas, Saulius; Weinhold, Elmar, Nature Chemical Biology, 2006, 2(1), 31-32

合成路线:1 步

反应条件:
参考文献:
Methyltransferases: Green Catalysts for Friedel-Crafts Alkylations
Tengg, Martin; Stecher, Harald; Offner, Lisa; Plasch, Katharina; Anderl, Felix; et al, ChemCatChem, 2016, 8(7), 1354-1360

合成路线:1 步

反应条件:
参考文献:
A thermostable S-adenosylhomocysteine hydrolase from Thermotoga maritima: Properties and its application on S-adenosylhomocysteine production with enzymatic cofactor regeneration
Qian, Guojun; Chen, Caiping; Zhou, Rong; He, Yanbin; Shao, Weilan, Enzyme and Microbial Technology, 2014, , 64-65

合成路线:1 步

反应条件:
参考文献:
Enzymatic analysis method for AdoMet-dependent methyltransferases
Gu, Jin-Song; Tan, Xiao-Jun, Gaodeng Xuexiao Huaxue Xuebao, 2012, 33(3), 521-525

合成路线:1 步

参考文献:
Targeted Labeling of DNA by Methyltransferase-Directed Transfer of Activated Groups (mTAG)
Lukinavicius, Grazvydas; Lapiene, Vidmantas; Stasevskij, Zdislav; Dalhoff, Christian; Weinhold, Elmar; et al, Journal of the American Chemical Society, 2007, 129(10), 2758-2759
专业数据库参考
PubChemId 24891441
参考资料
Beilstein 99188
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