基本描述

别名	阿司帕坦 \| N-L-α-天冬氨酰-L-苯丙氨酸1-甲酯；天冬甜素
英文别名	N-L-α-Aspartyl-L-phenylalanine 1-Methyl Ester \| H-Asp-Phe-OMe
规格或纯度	≥98%
英文名称	Aspartame
生化机理	Asp-Phe 甲酯（Asp-Phe-OMe）被用作合成甜味剂和微糖替代品。目前正在研究 Asp-Phe 甲酯作为营养补充剂的多种潜在益处，如延缓骨关节炎和调节类风湿因子的活性。目前正在研究 Asp-Phe 甲酯对凝血酶活性和血液凝固的影响。促进体内体重增加。
储存温度	2-8°C储存
运输条件	冰袋运输
产品介绍	微溶于水（约1%）和乙醇（0.26mg/100ml）。无臭、有强烈甜味，其稀溶液的甜度约为蔗糖的100-200倍。其甜味与砂糖十分相似，并有清凉感。0.8%水溶液的pH值为4-6.5。在水溶液中不稳定，易分解而失去甜味，低温时和pH值3-5时较稳定。 Asp-Phe methyl ester is used for the preparation of Ad libitum Standard Chow, with ad libitum drinking water (animals control diet) containing Asp-Phe methyl ester. It is also used for the TFA diet preparation (TFA diet with ad lib drinking water contains Asp-Phe methyl ester Asp-Phe methyl ester is used for the preparation of Ad libitum Standard Chow, with ad libitum drinking water (animals control diet) containing Asp-Phe methyl ester. It is also used for the TFA diet preparation (TFA diet with ad lib drinking water contains Asp-Phe methyl ester
纯度	≥98%

产品属性

ALogP	-2.7

关联靶点（人）

TSHR Tclin Thyroid stimulating hormone receptor (29986 活性数据)

点击查看靶蛋白信息： TSHR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 活性数据)

点击查看靶蛋白信息： PPARG

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (390 活性数据)

点击查看靶蛋白信息： SETD7

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 活性数据)

点击查看靶蛋白信息： KDM4A

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ABCB11 Tchem Bile salt export pump (2311 活性数据)

点击查看靶蛋白信息： ABCB11

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 活性数据)

点击查看靶蛋白信息： GMNN

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TAS1R2 Tbio Taste receptor type 1 member 2 (15 活性数据)

点击查看靶蛋白信息： TAS1R2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TAS1R3 Tbio Taste receptor type 1 member 3 (10 活性数据)

点击查看靶蛋白信息： TAS1R3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SLC22A8 Tclin Solute carrier family 22 member 8 (241 活性数据)

点击查看靶蛋白信息： SLC22A8

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 活性数据)

点击查看靶蛋白信息： SLCO1B1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 活性数据)

点击查看靶蛋白信息： SLCO1B3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TAS2R31 Tchem Taste receptor type 2 member 31 (86 活性数据)

点击查看靶蛋白信息： TAS2R31

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SLC22A11 Tclin Solute carrier family 22 member 11 (82 活性数据)

点击查看靶蛋白信息： SLC22A11

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TAS1R3 Tbio T1R1/T1R3 (473 活性数据)

点击查看靶蛋白信息： TAS1R3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Hdac6 Histone deacetylase 6 (222 活性数据)

点击查看靶蛋白信息： Hdac6

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 活性数据)

点击查看靶蛋白信息： rep

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Slc22a6 Solute carrier family 22 member 6 (141 活性数据)

点击查看靶蛋白信息： Slc22a6

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	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

PubChem SID	488187825
EC号	245-261-3
分子类型	小分子
IIUPAC Name	(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
INCHI	1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChi Key	IAOZJIPTCAWIRG-QWRGUYRKSA-N
Smiles	COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
Isomeric SMILES	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N
分子量	294.3
Beilstein号	2223850
Reaxy-Rn	4707041
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4707041&ln=

化学和物理性质

溶解性	Soluble in formic acid, dimethyl sulfoxide. Sparingly soluble in water and ethanol.
密度	1.28
比旋光度	14.5 ° (C=4, 15mol/L Formic Acid)
熔点	248-250°C
分子量	294.300 g/mol
XLogP3	-2.700
氢键供体数Hydrogen Bond Donor Count	3
氢键受体数Hydrogen Bond Acceptor Count	6
可旋转键计数Rotatable Bond Count	8
精确质量Exact Mass	294.122 Da
单同位素质量Monoisotopic Mass	294.122 Da
拓扑极表面积Topological Polar Surface Area	119.000 Å²
重原子数Heavy Atom Count	21
形式电荷Formal Charge	0
复杂度Complexity	380.000
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	2
RTECS	WM3407000
Merck Index	839
个人防护装备	Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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批号(Lot Number)	证书类型	货号
F2505284	分析证书	A113247
F2505285	分析证书	A113247
F2505283	分析证书	A113247
B2521103	分析证书	A113247
B2521104	分析证书	A113247
B2521118	分析证书	A113247
B2521119	分析证书	A113247
H2407091	分析证书	A113247
H2407092	分析证书	A113247
D2416217	分析证书	A113247
D2416206	分析证书	A113247
D2416218	分析证书	A113247
D2416205	分析证书	A113247
D2416210	分析证书	A113247
D2411120	分析证书	A113247
D2411121	分析证书	A113247
D2411122	分析证书	A113247
D2411123	分析证书	A113247
B2302659	分析证书	A113247
B2302662	分析证书	A113247
B2302663	分析证书	A113247
B2302664	分析证书	A113247
B2302665	分析证书	A113247
B2302666	分析证书	A113247
B2302667	分析证书	A113247
L2314022	分析证书	A113247
K2203180	分析证书	A113247
F2101064	分析证书	A113247
F2101065	分析证书	A113247
F2101102	分析证书	A113247
H2223017	分析证书	A113247

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引用文献

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4. F M Sturtevant. (1985-01-01) Use of aspartame in pregnancy.. International journal of fertility, 30 ((1)): (85-87). [PMID:2862125]
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17. Steffen Wiese,Thorsten Teutenberg,Torsten C Schmidt. (2012-01-06) A general strategy for performing temperature-programming in high performance liquid chromatography--further improvements in the accuracy of retention time predictions of segmented temperature gradients.. Journal of chromatography. A, 1222 (71-80). [PMID:22218327]
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19. Jiro Arima,Mirai Kono,Manami Kita,Nobuhiro Mori. (2012-02-23) A mutant leucine aminopeptidase from Streptomyces cinnamoneus with enhanced L-aspartyl L-amino acid methyl ester synthetic activity.. Biotechnology letters, 34 ((6)): (1093-1099). [PMID:22354473]
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25. Kate S Collison,Nadine J Makhoul,Marya Z Zaidi,Rana Al-Rabiah,Angela Inglis,Bernard L Andres,Rosario Ubungen,Mohammed Shoukri,Futwan A Al-Mohanna. (2012-06-16) Interactive effects of neonatal exposure to monosodium glutamate and aspartame on glucose homeostasis.. Nutrition & metabolism, 9 ((1)): (58-58). [PMID:22697049]
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27. Bo Liu,Matthew Ha,Xuan-Yu Meng,Mohammed Khaleduzzaman,Zhe Zhang,Xia Li,Meng Cui. (2012-09-25) Functional characterization of the heterodimeric sweet taste receptor T1R2 and T1R3 from a New World monkey species (squirrel monkey) and its response to sweet-tasting proteins.. Biochemical and biophysical research communications, 427 ((2)): (431-437). [PMID:23000410]
28. G M Prashant,Ravi B Patil,Tejavathi Nagaraj,Vinit B Patel. (2013-02-14) The antimicrobial activity of the three commercially available intense sweeteners against common periodontal pathogens: an in vitro study.. The journal of contemporary dental practice, 13 ((6)): (749-752). [PMID:23403996]
29. Karol Rycerz,Jadwiga Elżbieta Jaworska-Adamu. (2013-04-05) Effects of aspartame metabolites on astrocytes and neurons.. Folia neuropathologica, 51 ((1)): (10-17). [PMID:23553132]
30. Francesco Di Salle,Elena Cantone,Maria Flavia Savarese,Adriana Aragri,Anna Prinster,Emanuele Nicolai,Giovanni Sarnelli,Maurizio Iengo,Maxime Buyckx,Rosario Cuomo. (2013-05-30) Effect of carbonation on brain processing of sweet stimuli in humans.. Gastroenterology, 145 ((3)): (537-539). [PMID:23714381]
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