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MedKoo Cat#: 462554 | Name: RBN-2397
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Atamparib, also known as RBN-2397, is a potent, across species and orally active NAD+ competitive inhibitor of PARP7. RBN-2397 selectively binds to PARP7 and restores interferon (Type I) signaling. RBN-2397 has the potential for the study of advanced or metastatic solid tumors, and has resulted in complete tumor regression in a lung cancer xenograft.

Chemical Structure

RBN-2397
RBN-2397
CAS#2381037-82-5

Theoretical Analysis

MedKoo Cat#: 462554

Name: RBN-2397

CAS#: 2381037-82-5

Chemical Formula: C20H23F6N7O3

Exact Mass: 523.1767

Molecular Weight: 523.44

Elemental Analysis: C, 45.89; H, 4.43; F, 21.78; N, 18.73; O, 9.17

Price and Availability

Size Price Availability Quantity
1mg USD 90.00 Ready to ship
5mg USD 250.00 Ready to ship
10mg USD 450.00 Ready to ship
25mg USD 750.00 Ready to ship
50mg USD 1,250.00 Ready to ship
100mg USD 1,950.00 Ready to ship
200mg USD 2,950.00 Ready to ship
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Related CAS #
No Data
Synonym
Atamparib; RBN-2397; RBN 2397; RBN2397
IUPAC/Chemical Name
(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one
InChi Key
UQZCQKXJAXKZQH-LBPRGKRZSA-N
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
SMILES Code
O=C1C(C(F)(F)F)=C(N[C@@H](C)COCCC(N2CCN(C3=NC=C(C(F)(F)F)C=N3)CC2)=O)C=NN1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Biological target:
RBN-2397 is a potent NAD+ competitive inhibitor of PARP7 (IC50<3 nM) that selectively binds to PARP7 (Kd=0.001 μM) and restores IFN signaling.
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMSO 200.0 382.10
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 523.44 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Gozgit JM, Vasbinder MM, Abo RP, Kunii K, Kuplast-Barr KG, Gui B, Lu AZ, Molina JR, Minissale E, Swinger KK, Wigle TJ, Blackwell DJ, Majer CR, Ren Y, Niepel M, Varsamis ZA, Nayak SP, Bamberg E, Mo JR, Church WD, Mady ASA, Song J, Utley L, Rao PE, Mitchison TJ, Kuntz KW, Richon VM, Keilhack H. PARP7 negatively regulates the type I interferon response in cancer cells and its inhibition triggers antitumor immunity. Cancer Cell. 2021 Sep 13;39(9):1214-1226.e10. doi: 10.1016/j.ccell.2021.06.018. Epub 2021 Jul 22. PMID: 34375612. 2: Manetsch P, Böhi F, Nowak K, Leslie Pedrioli DM, Hottiger MO. PARP7-mediated ADP-ribosylation of FRA1 promotes cancer cell growth by repressing IRF1- and IRF3-dependent apoptosis. Proc Natl Acad Sci U S A. 2023 Dec 5;120(49):e2309047120. doi: 10.1073/pnas.2309047120. Epub 2023 Nov 27. PMID: 38011562; PMCID: PMC10710093. 3: Sanderson DJ, Rodriguez KM, Bejan DS, Olafsen NE, Bohn ID, Kojic A, Sundalam S, Siordia IR, Duell AK, Deng N, Schultz C, Grant DM, Matthews J, Cohen MS. Structurally distinct PARP7 inhibitors provide new insights into the function of PARP7 in regulating nucleic acid-sensing and IFN-β signaling. Cell Chem Biol. 2023 Jan 19;30(1):43-54.e8. doi: 10.1016/j.chembiol.2022.11.012. Epub 2022 Dec 17. PMID: 36529140; PMCID: PMC9868104. 4: Gu H, Yan W, Yang J, Liu B, Zhao X, Wang H, Xu W, Wang C, Chen Y, Dong Q, Zhu Q, Xu Y, Zou Y. Discovery of Highly Selective PARP7 Inhibitors with a Novel Scaffold for Cancer Immunotherapy. J Med Chem. 2024 Feb 8;67(3):1932-1948. doi: 10.1021/acs.jmedchem.3c01764. Epub 2023 Dec 7. PMID: 38059836. 5: Zhang Y, Song M, Bi Y, Lei Y, Sun X, Chen Y. TIPARP is involved in the regulation of intraocular pressure. Commun Biol. 2022 Dec 19;5(1):1386. doi: 10.1038/s42003-022-04346-0. PMID: 36536086; PMCID: PMC9763400. 6: Chen H, Diolaiti ME, O'Leary PC, Rojc A, Krogan NJ, Kim M, Ashworth A. A Whole-Genome CRISPR Screen Identifies AHR Loss as a Mechanism of Resistance to a PARP7 Inhibitor. Mol Cancer Ther. 2022 Jul 5;21(7):1076-1089. doi: 10.1158/1535-7163.MCT-21-0841. PMID: 35439318; PMCID: PMC9769698. 7: Gu H, Yan W, Wang Y, Xu W, Huang L, Yang J, Zhai B, Wang H, Su Y, Zhu Q, Liu B, Hao H, Zou Y, Xu Y. Discovery of the Potent and Highly Selective PARP7 Inhibitor as a Novel Immunotherapeutic Agent for Tumors. J Med Chem. 2023 Jan 12;66(1):473-490. doi: 10.1021/acs.jmedchem.2c01452. Epub 2022 Dec 28. PMID: 36576395. 8: Yang J, Liu B, Yan W, Zhao X, Wang C, Zhu Q, Zou Y, Xu Y, Gu H. Discovery of highly potent PARP7 inhibitors for cancer immunotherapy. Bioorg Chem. 2024 Jul;148:107469. doi: 10.1016/j.bioorg.2024.107469. Epub 2024 May 17. PMID: 38781669. 9: Xu J, Zhao A, Chen D, Wang J, Ma J, Qing L, Li Y, Fang H, He H, Pan W, Zhang S. Discovery of tricyclic PARP7 inhibitors with high potency, selectivity, and oral bioavailability. Eur J Med Chem. 2024 Feb 15;266:116160. doi: 10.1016/j.ejmech.2024.116160. Epub 2024 Jan 18. PMID: 38277917. 10: Gao Y, Duan JL, Wang CC, Yuan Y, Zhang P, Wang ZH, Sun B, Zhou J, Du X, Dang X, Bai RT, Zhang H, Xie T, Ye XY. Novel Bifunctional Conjugates Targeting PD-L1/PARP7 as Dual Immunotherapy for Potential Cancer Treatment. J Med Chem. 2024 Jul 11;67(13):10848-10874. doi: 10.1021/acs.jmedchem.4c00296. Epub 2024 Jun 24. PMID: 38912753. 11: Duan JL, Wang CC, Yuan Y, Hui Z, Zhang H, Mao ND, Zhang P, Sun B, Lin J, Zhang Z, Gao Y, Xie T, Ye XY. Design, Synthesis, and Structure-Activity Relationship of Novel Pyridazinone-Based PARP7/HDACs Dual Inhibitors for Elucidating the Relationship between Antitumor Immunity and HDACs Inhibition. J Med Chem. 2024 Mar 28;67(6):4950-4976. doi: 10.1021/acs.jmedchem.4c00090. Epub 2024 Mar 8. PMID: 38456618.