| Size | Price | Stock | Qty |
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| 5mg |
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Purity: ≥98%
Niraparib metabolite M1 is a carboxylic acid metabolite of niraparib (MK4827; Zejula), which is a PARP1/2 inhibitor approved for cancer treatment.
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Niraparib metabolite
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| ln Vitro |
Niraparib metabolite M1 has the validation in plasma and urine for the support of clinical studies such as the mass balance research and the absolute bioavailability study[1].
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| Additional Infomation |
Niraparib (MK-4827) is a novel poly(ADP-ribose) polymerase (PARP) inhibitor currently undergoing Phase III clinical trials for the treatment of cancer. New drug development includes characterizing the absorption, metabolism, and excretion (AME) of compounds. AME studies are required by regulatory agencies, and bioanalytical methods are crucial for this. This article describes the development and validation of a bioanalytical method for the detection of niraparib and its carboxylic acid metabolite M1 in human plasma and urine using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Sample pretreatment included plasma protein precipitation and urine sample dilution with acetonitrile-methanol (50:50, v/v). The final extract was injected into a SunFire C18 column using gradient elution with mobile phase A being 20 mM ammonium acetate and mobile phase B being formic acid:acetonitrile:methanol (0.1:50:50, v/v/v). The detection was performed on an API 5500 tandem mass spectrometer in positive ion electrospray ionization mode and multiple reaction monitoring (MRM) mode. This method has been successfully validated according to the latest guidelines of the U.S. Food and Drug Administration (FDA) and the European Medicines Agency (EMA) on the validation of bioanalytical methods, and therefore can be applied to pharmacological clinical research. [1]
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| Molecular Formula |
C₁₉H₁₉N₃O₂
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| Molecular Weight |
321.37
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| Exact Mass |
321.147
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| CAS # |
1476777-06-6
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| Related CAS # |
Niraparib;1038915-60-4
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| PubChem CID |
118737587
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| Appearance |
Light brown to brown solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
442.0±45.0 °C at 760 mmHg
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| Flash Point |
221.1±28.7 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.693
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| LogP |
4.01
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
450
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)O
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| InChi Key |
HDQHGRLURKGIFL-CQSZACIVSA-N
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| InChi Code |
InChI=1S/C19H19N3O2/c23-19(24)17-5-1-3-15-12-22(21-18(15)17)16-8-6-13(7-9-16)14-4-2-10-20-11-14/h1,3,5-9,12,14,20H,2,4,10-11H2,(H,23,24)/t14-/m1/s1
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| Chemical Name |
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (8.56 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 27.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.75 mg/mL (8.56 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 27.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.75 mg/mL (8.56 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1117 mL | 15.5584 mL | 31.1168 mL | |
| 5 mM | 0.6223 mL | 3.1117 mL | 6.2234 mL | |
| 10 mM | 0.3112 mL | 1.5558 mL | 3.1117 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.
J Med Chem.2009 Nov 26;52(22):7170-85.
Differential biochemical trapping of PARP1 by clinical PARP inhibitors.Cancer Res.2012 Nov 1;72(21):5588-99. |
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Three clinical PARP inhibitors differ in their potency to poison PARP1 and PARP2 irrespective of their potency to inhibit PARP catalytic activity.Cancer Res.2012 Nov 1;72(21):5588-99. |
Differential cellular trapping of PARP1 and PARP2 by clinical PARP inhibitors.Cancer Res.2012 Nov 1;72(21):5588-99. |
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