| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
Purity: ≥98%
| Targets |
Poly(ADP-ribose) polymerase-1 (PARP-1) and PARP-2.
|
|---|---|
| ln Vitro |
ABT-472 exhibits very good potency against the PARP-1 enzyme with a Ki value of 8 nM and an EC50 value of 3 nM in whole cell assays. It functions as a dual PARP-1/PARP-2 inhibitor, blocking DNA repair mechanisms in cancer cells. It is an orally bioavailable PARP inhibitor.
|
| ln Vivo |
ABT-472 demonstrates in vivo antitumor efficacy in preclinical cancer models. As an orally bioavailable PARP inhibitor, it shows potential for cancer treatment by exploiting synthetic lethality in tumors with BRCA mutations or other DNA repair deficiencies. It is an orally available PARP inhibitor with antitumor activity.
|
| Enzyme Assay |
PARP-1 enzyme activity assays using purified recombinant PARP-1. The enzyme is incubated with NAD+ and DNA substrates, and PARP activity is measured by incorporation of radioactive NAD+ or by detection of poly(ADP-ribose) polymers. ABT-472 inhibits PARP-1 activity with a Ki of 8 nM.
|
| Cell Assay |
Cancer cell lines (e.g., BRCA-deficient or homologous recombination repair-deficient cells) are treated with ABT-472. PARP inhibition is measured by assessing PAR polymer levels via Western blot or ELISA. Cell viability and proliferation are measured by standard cytotoxicity assays to determine EC50 values of 3 nM in whole cell assays.
|
| Animal Protocol |
Mouse xenograft models using human cancer cell lines (particularly BRCA-deficient or HR-deficient tumors) are used. ABT-472 is administered orally, and tumor growth inhibition, survival, and pharmacodynamic markers (PAR polymer levels in tumor tissue) are measured to assess in vivo efficacy.
|
| References |
Saqib U, Baig MS. Probing PARP1-inhibitor complexes for the development of novel inhibitors. Cell Mol Biol (Noisy-le-grand). 2014 Oct 25;60(3):43-52. PubMed PMID: 25346248.
2: Process Development for ABT-472, a Benzimidazole PARP Inhibitor Org. Process Res. Dev., 2007, 11 (4), pp 693–698 DOI: 10.1021/op7000194 Publication Date (Web): May 15, 2007 Copyright © 2007 American Chemical Society.
3: Synthesis of the Quinolone ABT-492: Crystallizations for Optimal Processing Org. Process Res. Dev., 2006, 10 (4), pp 751–756 DOI: 10.1021/op060054e Publication Date (Web): June 23, 2006 Copyright © 2006 American Chemical Society.
|
| Molecular Formula |
C16H22N4O.C4H6O4
|
|---|---|
| Molecular Weight |
404.48
|
| Exact Mass |
404.206
|
| CAS # |
943650-25-7
|
| Related CAS # |
943650-25-7
|
| PubChem CID |
45480519
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.009
|
| tPSA |
150.6
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
29
|
| Complexity |
460
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCN1CCC(C2=NC3=CC=CC(C(N)=O)=C3N2)CC1.O=C(O)CCC(O)=O
|
| InChi Key |
GWFBXGWIRCSOAO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H22N4O.C4H6O4/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16;5-3(6)1-2-4(7)8/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19);1-2H2,(H,5,6)(H,7,8)
|
| Chemical Name |
2-(1-Propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide Succinate
|
| Synonyms |
ABT-472 2-(1-Propylpiperidin-4-yl)-1H-benzo[d]imidazole-7-carboxamide succinate ABT-472 A-620223 (HCl salt) DTXSID70670431 AKOS016845980
|
| 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 (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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4723 mL | 12.3616 mL | 24.7231 mL | |
| 5 mM | 0.4945 mL | 2.4723 mL | 4.9446 mL | |
| 10 mM | 0.2472 mL | 1.2362 mL | 2.4723 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.
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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