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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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Atamparib (RBN-2397; RBN2397) is a first-in-class, potent, orally bioactive and NAD+ competitive inhibitor of PARP7 (IC50<3 nM) with antitumor and immunomodulatory effects. It has activity across species. In order to restore interferon (Type I) signaling, RBN-2397 binds to PARP7 specifically. RBN-2397 has the potential to be used in research on solid tumors that have progressed or spread.
| Targets |
PARP-7 ( IC50 = 3 nM ); PARP-7 ( Kd = 1 nM )
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| ln Vitro |
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| ln Vivo |
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| Cell Assay |
Cell Line: NCI-H1373 lung cancer cells
Concentration: 0.0001 μM; 0.001 μM; 0.001 μM; 0.1 μM; 1 μM; 10 μM; 100 μM Incubation Time: 24 hours Result: Blocked cell proliferation. |
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| Animal Protocol |
CB17 SCID mice with NCI-H1373 xenografts
3 mg/kg, 10mg/kg, 30 mg/kg, 100 mg/kg Oral administration; once daily; 24-32 days |
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| References | ||
| Additional Infomation |
Atamparib is an orally available small molecule inhibitor of the nuclear enzyme poly (ADP-ribose) polymerase (PARP) 7, with potential immunomodulating and antineoplastic activities. Upon oral administration,atamparib selectively binds to PARP7 and restores interferon (type 1) signaling. This may lead to the induction of both innate and adaptive immune responses, and the inhibition of tumor growth and proliferation. PARP catalyzes post-translational ADP-ribosylation of nuclear proteins that signal and recruit other proteins to repair damaged DNA.
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| Molecular Formula |
C₂₀H₂₃F₆N₇O₃
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|---|---|
| Molecular Weight |
523.43
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| Exact Mass |
523.18
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| Elemental Analysis |
C, 45.89; H, 4.43; F, 21.78; N, 18.73; O, 9.17
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| CAS # |
2381037-82-5
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| PubChem CID |
146047148
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| Appearance |
White to off-white solid powder
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| Density |
1.53±0.1 g/cm3(Predicted)
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| LogP |
1.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
36
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| Complexity |
848
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| Defined Atom Stereocenter Count |
1
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| SMILES |
FC(C1C([H])=NC(=NC=1[H])N1C([H])([H])C([H])([H])N(C(C([H])([H])C([H])([H])OC([H])([H])[C@]([H])(C([H])([H])[H])N([H])C2C([H])=NN([H])C(C=2C(F)(F)F)=O)=O)C([H])([H])C1([H])[H])(F)F
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| InChi Key |
UQZCQKXJAXKZQH-LBPRGKRZSA-N
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| InChi Code |
InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1
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| Chemical Name |
4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
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| Synonyms |
RBN2397; RBN 2397; Atamparib; RBN-2397
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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 |
| 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) |
DMSO: 100~200 mg/mL (191.0~382.1 mM)
Ethanol: ~13 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.78 mM) (saturation unknown) in 5% DMSO + 95% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
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. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.97 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.97 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. Solubility in Formulation 4: ≥ 2.08 mg/mL (3.97 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 corn oil and mix evenly. Solubility in Formulation 5: ≥ 0.5 mg/mL (0.96 mM) (saturation unknown) in 1% DMSO 99% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 6: 5%DMSO+ 40%PEG300+ 5%Tween 80+ 50%ddH2O: 5.0mg/ml (9.55mM) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9105 mL | 9.5524 mL | 19.1048 mL | |
| 5 mM | 0.3821 mL | 1.9105 mL | 3.8210 mL | |
| 10 mM | 0.1910 mL | 0.9552 mL | 1.9105 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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