N-乙酰基-β-Asp-Glu

有货

库存信息

关闭
货号 (SKU) 包装规格 是否现货 价格 数量
N487117-25mg
25mg 期货 Stock Image

基本描述

英文别名 SCHEMBL1573913 | N-(N-Acetyl-L-beta-aspartyl)-L-glutamic acid | Tox21_110545 | N-Acetyl-??-Asp-Glu | AC-ASP(GLU-OH)-OH | AKOS040747280 | SPAGLUMIC ACID [WHO-DD] | X81L78B3RB | (2S)-2-[[(3S)-3-acetamido-3-carboxypropanoyl]amino]pentanedioic acid | NCGC0018
英文名称 N-Acetyl-β-Asp-Glu
储存温度 -20°C储存
运输条件 超低温冰袋运输

AI解读

关联靶点(人)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

SARS-CoV-2 (38078 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IUPAC Name (2S)-2-[[(3S)-3-acetamido-3-carboxypropanoyl]amino]pentanedioic acid
INCHI InChI=1S/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1
InChi Key GUCKKCMJTSNWCU-BQBZGAKWSA-N
Canonical SMILES CC(=O)NC(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O
Isomeric SMILES CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
WGK Germany 3
PubChem CID 210320
分子量 304.25

化学和物理性质

分子量 304.250 g/mol
XLogP3 -2.100
氢键供体数Hydrogen Bond Donor Count 5
氢键受体数Hydrogen Bond Acceptor Count 8
可旋转键计数Rotatable Bond Count 9
精确质量Exact Mass 304.091 Da
单同位素质量Monoisotopic Mass 304.091 Da
拓扑极表面积Topological Polar Surface Area 170.000 Ų
重原子数Heavy Atom Count 21
形式电荷Formal Charge 0
复杂度Complexity 448.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 2
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

WGK Germany 3
个人防护装备 Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

技术规格说明书

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

参考文献

1. Artem I Malomouzh, Eugen E Nikolsky, Edward M Lieberman, Jessica A Sherman, Jane L Lubischer, Robert M Grossfeld, Albert Kh Urazaev,.  (2005-06-15)  Effect of N-acetylaspartylglutamate (NAAG) on non-quantal and spontaneous quantal release of acetylcholine at the neuromuscular synapse of rat..  Journal of neurochemistry,  94  ((1)): ( 257-267 ).  [PMID:15953368]

溶液计算器