2-Benzylsuccinic acid (DL-Benzylsuccinic acid) is a potent carboxypeptidase A (CPA) inhibitor.

Physicochemical Properties

Molecular Formula	C11H12O4
Molecular Weight	208.21
Exact Mass	208.073
CAS #	884-33-3
PubChem CID	3858
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	331.4±22.0 °C at 760 mmHg
Melting Point	161-163°C
Flash Point	168.4±18.8 °C
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.568
LogP	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Complexity	231
Defined Atom Stereocenter Count	0
InChi Key	GTOFKXZQQDSVFH-UHFFFAOYSA-N
InChi Code	InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
Chemical Name	2-benzylbutanedioic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. 96-Well Plate Colorimetric Assay for Ki Determination of (+/-)-2-Benzylsuccinic Acid, an Inhibitor of Carboxypeptidase A: A Laboratory Experiment in Drug Discovery. J Chem Educ. 2004 Mar 1, 81 (3):398.
Additional Infomation	2-benzylsuccinic acid is a dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent. It has a role as a bacterial xenobiotic metabolite. It is functionally related to a succinic acid. It is a conjugate acid of a 2-benzylsuccinate(2-) and a (R)-2-benzylsuccinate.

Solubility Data

Solubility (In Vitro)

DMSO: 500 mg/mL (2401.42 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 4.17 mg/mL (20.03 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 41.7 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 4.17 mg/mL (20.03 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 41.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 4.17 mg/mL (20.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 41.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.8028 mL	24.0142 mL	48.0284 mL
	5 mM	0.9606 mL	4.8028 mL	9.6057 mL
	10 mM	0.4803 mL	2.4014 mL	4.8028 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.