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4-Aminobenzamide (red base DB-70)

Cat No.:V65626 Purity: ≥98%
4-Aminobenzamide is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
4-Aminobenzamide (red base DB-70)
4-Aminobenzamide (red base DB-70) Chemical Structure CAS No.: 2835-68-9
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
4-Aminobenzamide is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
4-Aminobenzamide (CAS 2835-68-9), also known as p-aminobenzamide, is an aromatic amide with molecular formula C₇H₈N₂O and molecular weight 136.15. It appears as a white to off-white crystalline solid with a melting point of 181-185°C. This compound is particularly known as a poly(ADP-ribose) polymerase (PARP) inhibitor, studied for its potential in cancer therapy and DNA repair modulation. It is also used as an intermediate in the production of pharmaceuticals and agrochemicals.
Biological Activity I Assay Protocols (From Reference)
Targets
4-Aminobenzamide targets poly(ADP-ribose) polymerase (PARP) as an inhibitor, studied for its potential in cancer therapy and DNA repair modulation. By inhibiting PARP, the compound interferes with DNA repair mechanisms in cancer cells. It is also used as an anti-tuberculosis drug, inhibiting the activity of Mycobacterium tuberculosis. The compound serves as a pharmacological tool for studying DNA repair pathways.
ln Vitro
4-Aminobenzamide is employed as a poly(ADP-ribose) polymerase (PADPRP) inhibitor to investigate how cytotoxic effector cells cause target cell death via ribozyme poly(ADP-ribose) polymerase (PADPRP).
In vitro studies have demonstrated that 4-Aminobenzamide acts as a PARP inhibitor, making it a valuable tool for studying DNA repair mechanisms. The compound has been investigated for its anticancer properties and its ability to sensitize cancer cells to DNA-damaging agents. It also exhibits anti-tuberculosis activity. Its activity is assessed in enzyme inhibition assays and cell-based DNA repair studies.
ln Vivo
No specific in vivo pharmacological activity data have been documented for 4-Aminobenzamide as a therapeutic agent in humans. The compound is a research chemical and PARP inhibitor studied for its potential in cancer therapy. If used in animal studies, it would be administered for DNA repair research or anti-tuberculosis studies. Its applications are primarily in research settings.
Enzyme Assay
For non-cellular assays, 4-Aminobenzamide is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. Purity is typically ≥98%. The compound has a melting point of 181-185°C and molecular weight of 136.15. Storage: room temperature in a cool and dark place (<15°C). The compound appears as a white to off-white crystalline solid.
Cell Assay
For in vitro cell-based studies, 4-Aminobenzamide is used as a PARP inhibitor to study DNA repair mechanisms. Cells are cultured under standard conditions and treated with the compound to evaluate effects on PARP activity and DNA damage response. The compound is typically dissolved in DMSO or appropriate buffers and diluted in cell culture medium. Appropriate controls should be included in the experimental design.
Animal Protocol
For in vivo animal studies, 4-Aminobenzamide can be formulated using standard injection vehicles. The compound is a solid at room temperature. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. Standard handling procedures for amides should be followed. The compound is studied for its potential in cancer therapy and DNA repair modulation.
ADME/Pharmacokinetics
4-Aminobenzamide has a molecular weight of 136.15 and formula C₇H₈N₂O. It has a melting point of 181-185°C. Purity: ≥98%. Storage: room temperature in a cool and dark place (<15°C). The compound appears as a white to off-white crystalline solid. Solubility: soluble in organic solvents.
Toxicity/Toxicokinetics
4-Aminobenzamide is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
Additional Infomation
4-Aminobenzamide is a type of benzamide compound.
4-Aminobenzamide (CAS 2835-68-9) is also known as p-aminobenzamide. It is a poly(ADP-ribose) polymerase (PARP) inhibitor studied for its potential in cancer therapy and DNA repair modulation. It is also used as an anti-tuberculosis drug and as an intermediate in pharmaceutical production. No clinical trials or therapeutic approvals exist for this compound as a drug.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C7H8N2O
Molecular Weight
136.15
Exact Mass
136.063
CAS #
2835-68-9
PubChem CID
76079
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
349.0±25.0 °C at 760 mmHg
Melting Point
181-183 °C(lit.)
Flash Point
164.9±23.2 °C
Vapour Pressure
0.0±0.8 mmHg at 25°C
Index of Refraction
1.633
LogP
0.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Heavy Atom Count
10
Complexity
128
Defined Atom Stereocenter Count
0
SMILES
O=C(N)C1=CC=C(N)C=C1
InChi Key
QIKYZXDTTPVVAC-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
Chemical Name
4-aminobenzamide
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)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 7.3448 mL 36.7242 mL 73.4484 mL
5 mM 1.4690 mL 7.3448 mL 14.6897 mL
10 mM 0.7345 mL 3.6724 mL 7.3448 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
/

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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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