Introduction：Basic information about CAS 163271-32-7|5-ALA benzyl ester hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-ALA benzyl ester hydrochloride |
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| CAS Number | 163271-32-7 | Molecular Weight | 257.713 |
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| Density | / | Boiling Point | 385.1ºC at 760 mmHg |
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| Molecular Formula | C12H16ClNO3 | Melting Point | / |
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| MSDS | / | Flash Point | 186.7ºC |
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Names
| Name | benzyl 5-amino-4-oxopentanoate,hydrochloride |
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| Synonym | More Synonyms |
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5-ALA benzyl ester hydrochloride BiologicalActivity
| Description | 5-ALA benzyl ester hydrochloride (Benzyl-ALA hydrochloride) is a protoporphyrin precursor used as a photodetection agent. 5-ALA benzyl ester hydrochloride induces protoporphyrin IX (PPIX) accumulation in colon carcinoma cell lines[1][2]. |
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| Related Catalog | Research Areas >>Cancer |
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| Target | Human Endogenous Metabolite |
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| In Vitro | 5-ALA benzyl ester hydrochloride (Benzyl-ALA hydrochloride) (0.6-0.12 mM; 3 h) induces protoporphyrin IX (PPIX) accumulation in colon carcinoma cell lines SW480[2]. |
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| In Vivo | Reducing the dose of 5-ALA benzyl ester hydrochloride (31 mg/kg; i.v. ; 1 hours) results in a dose-dependent reduction in tumour porphyrin levels[3]. Animal Model: Female CBA/Gy mouse (CaNT tumour model)[3] Dosage: 31 mg/kg Administration: i.v. ; 1 hours Result: Reducing the dose of 5-ALA benzyl ester hydrochloride resulted in a dose-dependent reduction in the concentration of porphyrins accumulating in the CaNT tumour. |
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| References | [1]. Hirschberg H, et al. ALA- and ALA-ester-mediated photodynamic therapy of human glioma spheroids. J Neurooncol. 2002 Mar;57(1):1-7. [2]. Brunner H, et al. The effects of 5-aminolevulinic acid esters on protoporphyrin IX production in human adenocarcinoma cell lines. Photochem Photobiol. 2001 Nov;74(5):721-5. [3]. Tunstall RG, et al. Porphyrin accumulation induced by 5-aminolaevulinic acid esters in tumour cells growing in vitro and in vivo. Br J Cancer. 2002 Jul 15;87(2):246-50. |
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Chemical & Physical Properties
| Boiling Point | 385.1ºC at 760 mmHg |
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| Molecular Formula | C12H16ClNO3 |
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| Molecular Weight | 257.713 |
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| Flash Point | 186.7ºC |
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| Exact Mass | 257.081879 |
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| PSA | 69.39000 |
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| LogP | 2.54010 |
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| Vapour Pressure | 2.61E-06mmHg at 25°C |
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| InChIKey | GHMCTRQKEALPCK-UHFFFAOYSA-N |
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| SMILES | Cl.NCC(=O)CCC(=O)OCc1ccccc1 |
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| Storage condition | -20°C |
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Safety Information
Customs
| HS Code | 2922509090 |
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| 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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Synonyms
| 5-Aminolevulinic acid benzyl ester hydrochloride |
| Benzyl 5-amino-4-oxopentanoate hydrochloride (1:1) |
| A-6130 |
| Pentanoic acid, 5-amino-4-oxo-, phenylmethyl ester, hydrochloride (1:1) |
| 5-Amino-4-oxopentanoic acid benzyl ester hydrochloride |
