PARP-IN-1 (3-aminobenzamide; 3-ABA; 3-AB)

Alias: 3-Aminobenzamide; PARP-IN-1; 3-ABA; 3-AB

Cat No.:V0306 Purity: ≥98%

COA Product Data Instructions for use SDS

PARP-IN-1(3-Aminobenzamide; 3-ABA; 3-AB) is a novel and potent inhibitor of PARP [Poly(ADP-ribose)polymerase] with potential anticancer activity.

PARP-IN-1 (3-aminobenzamide; 3-ABA; 3-AB) Chemical Structure CAS No.: 3544-24-9
Product category: PARP

This product is for research use only, not for human use. We do not sell to patients.

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Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

NMR

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators

Product Description

PARP-IN-1 (3-Aminobenzamide; 3-ABA; 3-AB) is a novel and potent inhibitor of PARP [ Poly(ADP-ribose)polymerase] with potential anticancer activity. In CHO cells, it inhibits PARP at an IC50 of less than 50 nM. It also exhibits strong in vivo antitumor efficacy and strong antiproliferative activity against a variety of cancer cells. INO-1001 markedly reduced PARP activity in human and rodent fibroblast cell lines. Following treatment with 10 μM INO-1001, the three cell lines experienced a notable radiosensitization following a single radiation dose. INO-1001 may have increased radiation-induced cell death by interfering with DNA repair mechanisms, leading to an increase in necrotic cell death, even though apoptosis was not increased.

Biological Activity I Assay Protocols (From Reference)

Targets

PARP ( IC50 = 50 nM )

ln Vitro

In vitro activity: 3-Aminobenzamide (PARP-IN-1) (>1 μM) causes significant cellular toxicity while inhibiting PARP activity by more than 95%. By obstructing the majority of DNA repair that takes place in between radiation fractions, INO-1001 dramatically sensitizes CHO cells[1]. 3-After being exposed to 400 μM H₂O₂, 3-aminobenzamide greatly enhances the nitric oxide-mediated, acetylcholine-induced, endothelium-dependent vasorelaxation[2].

ln Vivo

3-Aminobenzamide reduces diabetes-induced podocyte depletion and improves diabetes-induced albumin excretion and mesangial expansion in a db/db (Leprdb/db) mouse model[3]. 3-After controlled cortical impact (CCI) in mice, 3-aminobenzamide (1.6 mg/kg intracerebrally injected) prevents NAD⁺ depletion and enhances water maze performance[4].

Enzyme Assay

Using a PARP Activity Assay Kit, PARP activity is determined. In the presence of sheared genomic DNA, which activates PARP, the amount of ³H-NAD incorporated into trichloroacetic acid (TCA) precipitable material is measured using this method to determine relative PARP activity. After the reaction is allowed to run for 60 minutes at 37°C, the reaction mixture is directly added to washed cultures in 12-well culture plates. The cells are then mechanically removed, moved to a microcentrifuge tube, and precipitated with ice-cold 5% TCA.

Cell Assay

3-Aminobenzamide (PARP-IN-1) is a potent inhibitor of PARP that acts as a mediator of oxidant-induced myocyte dysfunction during reperfusion. Its IC50 in CHO cells is approximately 50 nM.

Animal Protocol

The mice used are male C57BLKs/J background db/db (Leprdb/db) mice combined with nondiabetic control db/m mice. Treatment with INO-1001 and PJ-34 begins at five weeks of age. 2.4 g/L of PJ-34 and 4.8 g/L of 3-Aminobenzamide are dissolved in sterile water sweetened with NutraSweet. Only sweetened water is given to the control animals. On average, 30 mg/kg of PJ-34 and 60 mg/kg of 3-aminobenzamide are consumed as inhibitors.

References

[1]. Radiosensitization of human and rodent cell lines by INO-1001, a novel inhibitor of poly(ADP-ribose) polymerase. Cancer Lett. 2004 Mar 18;205(2):155-60.

[2]. Poly(ADP-ribose) polymerase inhibition improves endothelial dysfunction induced by reactive oxidant hydrogen peroxide in vitro. Eur J Pharmacol. 2007 Jun 14;564(1-3):158-66.

[3]. Poly(ADP-ribose) polymerase inhibitors ameliorate nephropathy of type 2 diabetic Leprdb/db mice. Diabetes. 2006 Nov;55(11):3004-12.

[4]. Local administration of the poly(ADP-ribose) polymerase inhibitor INO-1001 prevents NAD+ depletion and improves water maze performance after traumatic brain injury in mice. J Neurotrauma. 2007 Aug;24(8):1399-405.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C₇H₈N₂O

Molecular Weight

136.15

Exact Mass

136.06

CAS #

3544-24-9

Related CAS #

3544-24-9

Appearance

Powder

SMILES

C1=CC(=CC(=C1)N)C(=O)N

InChi Key

GSCPDZHWVNUUFI-UHFFFAOYSA-N

InChi Code

InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)

Chemical Name

3-aminobenzamide

Synonyms

3-Aminobenzamide; PARP-IN-1; 3-ABA; 3-AB

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)

DMSO: ~27 mg/mL (~198.3 mM)

H2O: ≥ 11.11 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: 25 mg/mL (183.62 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.

Solubility in Formulation 2: 30% propylene glycol+ 5% Tween 80+ 65% D5W: 30 mg/mL (220.35mM)

(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

Mass

Concentration

Volume

Molecular Weight*

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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

See Example

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.

Concentration (Start)

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Concentration (End)

Volume (End)

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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

Molecular formula

Total molecular weight

g/mol

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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.

Volume (to add to vial)

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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
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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)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

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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.)

% DMSO

% Tween 80

% ddH₂O

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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.

Note： (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.