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4-(Aminomethyl)benzoic acid

Cat No.:V30099 Purity: ≥98%
4-(Aminomethyl)benzoic acid is an unnatural amino acid (AA) analogue and an antifibrinolytic drug.
4-(Aminomethyl)benzoic acid
4-(Aminomethyl)benzoic acid Chemical Structure CAS No.: 56-91-7
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1g
Other Sizes
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Product Description
4-(Aminomethyl)benzoic acid is an unnatural amino acid (AA) analogue and an antifibrinolytic drug.
4-(Aminomethyl)benzoic acid (CAS#: 56-91-7) is an unnatural amino acid derivative and an antifibrinolytic drug. It is a competitive inhibitor of PepT1 and has antifibrinolytic activity. The compound is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also used in peptide synthesis and as a building block in organic synthesis. Its molecular formula is C8H9NO2 with a molecular weight of 151.16 g/mol.
Biological Activity I Assay Protocols (From Reference)
Targets
4-(Aminomethyl)benzoic acid targets PepT1 (Peptide transporter 1), acting as a competitive inhibitor. It also functions as an antifibrinolytic agent, inhibiting the breakdown of fibrin clots. The compound is an amino acid analogue with antifibrinolytic activity. Its mechanism involves inhibition of proteases involved in fibrinolysis. The compound is used as a building block in pharmaceutical synthesis.
ln Vitro
In vitro, 4-(Aminomethyl)benzoic acid acts as a competitive inhibitor of PepT1 with antifibrinolytic activity. It is an unnatural amino acid derivative used in peptide synthesis. The compound is used as a building block in organic synthesis. Its antifibrinolytic activity has been characterized in various in vitro assays. It is also used as an intermediate in pharmaceutical synthesis.
ln Vivo
In vivo, 4-(Aminomethyl)benzoic acid is an antifibrinolytic drug used to treat conditions associated with excessive fibrinolysis. It has been used as a hemostatic agent. The compound is effective against bleeding associated with hyperfibrinolysis. It is also used as an intermediate in pharmaceutical synthesis. Further in vivo studies have evaluated its hemostatic efficacy.
Enzyme Assay
In vitro enzyme assays for 4-(Aminomethyl)benzoic acid involve measuring PepT1 inhibition. PepT1 activity is assessed by measuring the uptake of radiolabeled dipeptides or fluorescent substrates in cells expressing PepT1. The compound's competitive inhibition is confirmed by varying substrate concentrations. Antifibrinolytic activity is assessed by measuring inhibition of plasmin or plasminogen activator activity using chromogenic substrates. Assays are performed in appropriate buffer systems with positive controls such as known PepT1 inhibitors or antifibrinolytic agents (e.g., tranexamic acid).
Cell Assay
In vitro cell-based assays for 4-(Aminomethyl)benzoic acid are conducted in cells expressing PepT1. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. PepT1-mediated transport is assessed by measuring uptake of radiolabeled or fluorescent substrates. Inhibition of transport is quantified. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
Animal Protocol
4-(Aminomethyl)benzoic acid in vivo studies are conducted in animal models of bleeding and fibrinolysis. Animals are treated with the compound via oral administration or injection. Bleeding time is measured using tail bleeding or other models. Fibrinolysis is assessed by measuring D-dimer or fibrin degradation products. For pharmacokinetic studies, blood samples are collected for analysis. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biochemical analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
ADME/Pharmacokinetics
4-(Aminomethyl)benzoic acid (MW 151.16 g/mol, C8H9NO2) is a small molecule. It is soluble in water and other appropriate solvents. The compound is stable under recommended storage conditions. It is an unnatural amino acid derivative and an antifibrinolytic drug. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution have been characterized in preclinical and clinical studies.
Toxicity/Toxicokinetics
4-(Aminomethyl)benzoic acid is generally well-tolerated at therapeutic doses. The compound is an antifibrinolytic drug with established safety profiles. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation is available from clinical use data.
Additional Infomation
Aminomethylbenzoic acid is one of the benzoic acid compounds. It can be used as an antifibrinolytic drug.
4-(Aminomethyl)benzoic acid is an unnatural amino acid derivative and an antifibrinolytic drug. It is a competitive inhibitor of PepT1 and has antifibrinolytic activity. The compound is used as an intermediate in pharmaceutical and agrochemical synthesis and in peptide synthesis. Its molecular formula is C8H9NO2 with a molecular weight of 151.16 g/mol. All applications are limited to non-human research use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C8H9NO2
Molecular Weight
151.16256
Exact Mass
151.063
CAS #
56-91-7
PubChem CID
65526
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
323.1±25.0 °C at 760 mmHg
Melting Point
≥300 °C(lit.)
Flash Point
149.2±23.2 °C
Vapour Pressure
0.0±0.7 mmHg at 25°C
Index of Refraction
1.598
LogP
0.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Heavy Atom Count
11
Complexity
139
Defined Atom Stereocenter Count
0
SMILES
O=C(O)C1=CC=C(CN)C=C1
InChi Key
QCTBMLYLENLHLA-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
Chemical Name
4-(aminomethyl)benzoic 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

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
H2O : ~9.09 mg/mL (~60.13 mM)
DMSO : ~1 mg/mL (~6.62 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 4.55 mg/mL (30.10 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.6155 mL 33.0775 mL 66.1551 mL
5 mM 1.3231 mL 6.6155 mL 13.2310 mL
10 mM 0.6616 mL 3.3078 mL 6.6155 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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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