5-氨基乙酰丙酸结构式
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常用名 | 5-氨基乙酰丙酸 | 英文名 | Aminolevulinic acid |
|---|---|---|---|---|
| CAS号 | 106-60-5 | 分子量 | 131.130 | |
| 密度 | 1.2±0.1 g/cm3 | 沸点 | 298.4±20.0 °C at 760 mmHg | |
| 分子式 | C5H9NO3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 134.3±21.8 °C |
5-氨基乙酰丙酸用途光动力治疗药物,为体内血红蛋白合成过程的前体物。用于治疗光化性骨化病和基底细胞瘤。 |
| 中文名 | 5-氨基乙酰丙酸 |
|---|---|
| 英文名 | 5-aminolevulinic acid |
| 中文别名 | 胺果糖衍酸 | 5-氨基酮戊酸 |
| 英文别名 | 更多 |
| 描述 | 5-Amino-4-oxopentanoic acid 是一种非蛋白质氨基酸,在血红素生物合成中起着限速作用。 |
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| 相关类别 | |
| 靶点实验 |
Human Endogenous Metabolite |
| 体外研究 | 5-氨基-4-氧代戊酸(5-ALA)分别增强南美白对虾对副溶血性弧菌的免疫反应,上调免疫和防御相关基因,并分别增强有氧能量代谢[1]。 |
| 参考文献 |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 298.4±20.0 °C at 760 mmHg |
| 分子式 | C5H9NO3 |
| 分子量 | 131.130 |
| 闪点 | 134.3±21.8 °C |
| 精确质量 | 131.058243 |
| PSA | 80.39000 |
| LogP | -0.93 |
| InChIKey | ZGXJTSGNIOSYLO-UHFFFAOYSA-N |
| SMILES | NCC(=O)CCC(=O)O |
| 外观性状 | 白色结晶粉末 |
| 蒸汽压 | 0.0±1.3 mmHg at 25°C |
| 折射率 | 1.482 |
| 分子结构 | 1、 摩尔折射率:30.34 2、 摩尔体积(cm3/mol):106.4 3、 等张比容(90.2K):286.9 4、 表面张力(dyne/cm):52.7 5、 极化率(10-24cm3):12.02 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):-3.8 2.氢键供体数量:2 3.氢键受体数量:4 4.可旋转化学键数量:4 5.互变异构体数量:4 6.拓扑分子极性表面积80.4 7.重原子数量:9 8.表面电荷:0 9.复杂度:121 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 危害码 (欧洲) | Xi |
|---|---|
| 风险声明 (欧洲) | R10:Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . |
| 安全声明 (欧洲) | S16-S26-S36/37/39 |
| 危险品运输编码 | UN 1993 3/PG 3 |
| WGK德国 | 3 |
| 包装等级 | III |
| 危险类别 | 3 |
| 海关编码 | 2922509090 |
| 5-氨基乙酰丙酸上游产品 9 | |
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| 5-氨基乙酰丙酸下游产品 10 | |
微生物发酵得到。
| 海关编码 | 2922509090 |
|---|---|
| 中文概述 | 2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 |
| 监管条件 | A.入境货物通关单 B.出境货物通关单 |
| 检验检疫 | R.进口食品卫生监督检验 S.出口食品卫生监督检验 |
| Summary | 2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
来源:ChEMBL
靶标:Staphylococcus aureus
External Id:CHEMBL4296184
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实验名称:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL4296186
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实验名称:Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
来源:ChEMBL
靶标:Escherichia coli
External Id:CHEMBL4296185
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint...
来源:Broad Institute
靶标:N/A
External Id:2084-01_Activator_SinglePoint_HTS_Activity
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实验名称:Counterscreen for inhibitors of the fructose-bisphosphate aldolase (FBA) of M. tuberc...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:GDH-TPI_INH_ABS_1536_1X%INH CSRUN
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实验名称:Antagonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assesse...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit rho-1
External Id:CHEMBL964514
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| EINECS 203-414-1 |
| MFCD00044485 |
| 5-Amino-4-oxopentanoic acid |
| Pentanoic acid,5-amino-4-oxo |
| 5-Amino-4-oxo-pentanoic Acid |
| 5-Aminolevulinate |
| δ-Aminolevulinic acid |
| Aminolevulinic acid |
| 5-amino-4-oxovaleric acid |
| 5-Aminolevulinicacid |
| δ-amino-levulinic acid |
| Aminolevulinate |
| 5-amino-Levulinic acid |
| Aladerm |
| 5-aminolevulinic acid |
| Kerastick |
| 5-ALA |