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PARP1-IN-8

Cat No.:V46661 Purity: ≥98%
PARP1-IN-8 (compound 11c) is a potent BBB (blood-brain barrier) permeable/penetrable PARP1 inhibitor (antagonist) with IC50 of 97 nM.
PARP1-IN-8
PARP1-IN-8 Chemical Structure CAS No.: 836640-15-4
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
PARP1-IN-8 (compound 11c) is a potent BBB (blood-brain barrier) permeable/penetrable PARP1 inhibitor (antagonist) with IC50 of 97 nM. PARP1-IN-8 has significant antiproliferation activity on the human lung adenocarcinoma epithelial cell line A549.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
On A549 cells, PARP1-IN-8 (compound 11c) (0–10 μM, 24-48 hours) has a strong and notable anti-proliferative effect [1].
Cell Assay
Cell proliferation assay
Cell Types: A549, HFF cells [1]
Tested Concentrations: 0, 0.1, 1, 10 μM
Incubation Duration: 24, 48 hrs (hours)
Experimental Results: demonstrated Dramatically effective anti-proliferative activity against A549 cells and did not show any significant Significant anti-proliferative activity. Cytotoxicity to HFF cells[1].
References

[1]. Almahli H, Hadchity E, Jaballah MY, Daher R, Ghabbour HA, Kabil MM, Al-Shakliah NS, Eldehna WM. Development of novel synthesized phthalazinone-based PARP-1 inhibitors with apoptosis inducing mechanism in lung cancer. Bioorg Chem. 2018 Apr;77:443-456.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H18CLN3O2
Molecular Weight
403.860924243927
Exact Mass
403.108
CAS #
836640-15-4
PubChem CID
3796800
Appearance
White to off-white solid powder
LogP
4.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Heavy Atom Count
29
Complexity
632
Defined Atom Stereocenter Count
0
SMILES
O=C(CCN1C(=O)C2C(=CC=CC=2)C(C2C=CC=CC=2)=N1)NC1C=C(Cl)C=CC=1
InChi Key
BOYHFRMRSLOWLL-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H18ClN3O2/c24-17-9-6-10-18(15-17)25-21(28)13-14-27-23(29)20-12-5-4-11-19(20)22(26-27)16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,25,28)
Chemical Name
N-(3-chlorophenyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
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)
DMSO : ~62.5 mg/mL (~154.76 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.15 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 20.8 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 2.4761 mL 12.3805 mL 24.7611 mL
5 mM 0.4952 mL 2.4761 mL 4.9522 mL
10 mM 0.2476 mL 1.2381 mL 2.4761 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.

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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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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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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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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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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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