[CAS NO. 163271-32-7] 5-ALAbenzylesterhydrochloride
PRODUCTS SPECIFICATIONS [163271-32-7]
DESCRIPTION [163271-32-7]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 257.71 |
| Molecular Formula | C12H16ClNO3 |
| SMILES | O=C(OCC1=CC=CC=C1)CCC(CN)=O.[H]Cl |
Summary
IC50 & Target
|
Human Endogenous Metabolite |
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] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
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] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| 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. |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Solvent & Solubility
DMSO : 250 mg/mL ( 970.08 mM ; Need ultrasonic)
H 2 O : 100 mg/mL ( 388.03 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 3.8803 mL | 19.4017 mL | 38.8033 mL |
| 5 mM | 0.7761 mL | 3.8803 mL | 7.7607 mL |
| 10 mM | 0.3880 mL | 1.9402 mL | 3.8803 mL |
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1.
Add each solvent one by one: PBS
Solubility: 100 mg/mL (388.03 mM); Clear solution; Need ultrasonic
-
2.
-
3.
Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)
Solubility: ≥ 2.08 mg/mL (8.07 mM); Clear solution
-
4.
Add each solvent one by one: 10% DMSO >> 90% corn oil
Solubility: ≥ 2.08 mg/mL (8.07 mM); Clear solution
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.
