MedKoo Cat#: 206478 | Name: Nedisertib
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Description:

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

Nedisertib, also known as M-3814, MSC2490484A, is an orally available inhibitor of DNA-dependent protein kinase (DNA-PK), with potential antineoplastic and chemo/radiosensitizing activities. Upon oral administration, the DNA-PK inhibitor MSC2490484A binds to and inhibits the activity of DNA-PK. This inhibits the ability of tumor cells to repair damaged DNA, which may lead to a reduction in cellular proliferation of cancer cells expressing DNA-PK.

Chemical Structure

Nedisertib
Nedisertib
CAS#1637542-33-6

Theoretical Analysis

MedKoo Cat#: 206478

Name: Nedisertib

CAS#: 1637542-33-6

Chemical Formula: C24H21ClFN5O3

Exact Mass: 481.1317

Molecular Weight: 481.91

Elemental Analysis: C, 59.82; H, 4.39; Cl, 7.36; F, 3.94; N, 14.53; O, 9.96

Price and Availability

Size Price Availability Quantity
5mg USD 90.00 Ready to Ship
10mg USD 150.00 Ready to Ship
25mg USD 250.00 Ready to Ship
100mg USD 750.00 Ready to Ship
200mg USD 1,250.00 Ready to Ship
1g USD 3,650.00 Ready to Ship
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Synonym
MSC2490484A; MSC-2490484A; MSC 2490484A; M3814; M-3814; M 3814; nedisertib; peposertib,
IUPAC/Chemical Name
(S)-(2-chloro-4-fluoro-5-(7-morpholinoquinazolin-4-yl)phenyl)(6-methoxypyridazin-3-yl)methanol
InChi Key
MOWXJLUYGFNTAL-DEOSSOPVSA-N
InChi Code
InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
SMILES Code
COC1=CC=C([C@@H](O)C2=CC(C3=C(C=CC(N4CCOCC4)=C5)C5=NC=N3)=C(F)C=C2Cl)N=N1
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, not in water
Shelf Life
>2 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
DNA-PK, a serine/threonine kinase and a member of the PI3K-related kinase subfamily of protein kinases, is activated upon DNA damage and plays a key role in repairing DNA double-strand breaks (DSBs) via the DNA nonhomologous end joining (NHEJ) pathway. The enhanced ability of tumor cells to repair DSBs plays a major role in the resistance of tumor cells to chemo- and radiotherapy.
Solvent mg/mL mM
Solubility
DMSO 96.0 199.60
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 481.91 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
1: Fu YW, Dai XY, Wang WT, Yang ZX, Zhao JJ, Zhang JP, Wen W, Zhang F, Oberg KC, Zhang L, Cheng T, Zhang XB. Dynamics and competition of CRISPR-Cas9 ribonucleoproteins and AAV donor-mediated NHEJ, MMEJ and HDR editing. Nucleic Acids Res. 2021 Jan 25;49(2):969-985. doi: 10.1093/nar/gkaa1251. PMID: 33398341; PMCID: PMC7826255. 2: van Bussel MTJ, Awada A, de Jonge MJA, Mau-Sørensen M, Nielsen D, Schöffski P, Verheul HMW, Sarholz B, Berghoff K, El Bawab S, Kuipers M, Damstrup L, Diaz- Padilla I, Schellens JHM. A first-in-man phase 1 study of the DNA-dependent protein kinase inhibitor peposertib (formerly M3814) in patients with advanced solid tumours. Br J Cancer. 2021 Feb;124(4):728-735. doi: 10.1038/s41416-020-01151-6. Epub 2020 Nov 24. PMID: 33230210; PMCID: PMC7884679. 3: Wu ZX, Peng Z, Yang Y, Wang JQ, Teng QX, Lei ZN, Fu YG, Patel K, Liu L, Lin L, Zou C, Chen ZS. M3814, a DNA-PK Inhibitor, Modulates ABCG2-Mediated Multidrug Resistance in Lung Cancer Cells. Front Oncol. 2020 May 12;10:674. doi: 10.3389/fonc.2020.00674. PMID: 32477940; PMCID: PMC7235170. 4: Zenke FT, Zimmermann A, Sirrenberg C, Dahmen H, Kirkin V, Pehl U, Grombacher T, Wilm C, Fuchss T, Amendt C, Vassilev LT, Blaukat A. Pharmacologic Inhibitor of DNA-PK, M3814, Potentiates Radiotherapy and Regresses Human Tumors in Mouse Models. Mol Cancer Ther. 2020 May;19(5):1091-1101. doi: 10.1158/1535-7163.MCT-19-0734. Epub 2020 Mar 27. PMID: 32220971. 5: Carr MI, Zimmermann A, Chiu LY, Zenke FT, Blaukat A, Vassilev LT. DNA-PK Inhibitor, M3814, as a New Combination Partner of Mylotarg in the Treatment of Acute Myeloid Leukemia. Front Oncol. 2020 Feb 13;10:127. doi: 10.3389/fonc.2020.00127. PMID: 32117773; PMCID: PMC7031257. 6: Anne Esguerra Z, Watanabe G, Okitsu CY, Hsieh CL, Lieber MR. DNA-PKcs chemical inhibition versus genetic mutation: Impact on the junctional repair steps of V(D)J recombination. Mol Immunol. 2020 Apr;120:93-100. doi: 10.1016/j.molimm.2020.01.018. Epub 2020 Feb 26. PMID: 32113132; PMCID: PMC7184946. 7: Wise HC, Iyer GV, Moore K, Temkin SM, Gordon S, Aghajanian C, Grisham RN. Activity of M3814, an Oral DNA-PK Inhibitor, In Combination with Topoisomerase II Inhibitors in Ovarian Cancer Models. Sci Rep. 2019 Dec 11;9(1):18882. doi: 10.1038/s41598-019-54796-6. PMID: 31827119; PMCID: PMC6906487. 8: Sun Q, Guo Y, Liu X, Czauderna F, Carr MI, Zenke FT, Blaukat A, Vassilev LT. Therapeutic Implications of p53 Status on Cancer Cell Fate Following Exposure to Ionizing Radiation and the DNA-PK Inhibitor M3814. Mol Cancer Res. 2019 Dec;17(12):2457-2468. doi: 10.1158/1541-7786.MCR-19-0362. Epub 2019 Sep 24. PMID: 31551253. 9: Riesenberg S, Chintalapati M, Macak D, Kanis P, Maricic T, Pääbo S. Simultaneous precise editing of multiple genes in human cells. Nucleic Acids Res. 2019 Nov 4;47(19):e116. doi: 10.1093/nar/gkz669. PMID: 31392986; PMCID: PMC6821318. 10: Klein C, Dokic I, Mairani A, Mein S, Brons S, Häring P, Haberer T, Jäkel O, Zimmermann A, Zenke F, Blaukat A, Debus J, Abdollahi A. Overcoming hypoxia- induced tumor radioresistance in non-small cell lung cancer by targeting DNA- dependent protein kinase in combination with carbon ion irradiation. Radiat Oncol. 2017 Dec 29;12(1):208. doi: 10.1186/s13014-017-0939-0. PMID: 29287602; PMCID: PMC5747947. 11: Harnor SJ, Brennan A, Cano C. Targeting DNA-Dependent Protein Kinase for Cancer Therapy. ChemMedChem. 2017 Jun 21;12(12):895-900. doi: 10.1002/cmdc.201700143. Epub 2017 May 29. PMID: 28423228.
Shy BR, Vykunta VS, Ha A, Talbot A, Roth TL, Nguyen DN, Pfeifer WG, Chen YY, Blaeschke F, Shifrut E, Vedova S, Mamedov MR, Chung JJ, Li H, Yu R, Wu D, Wolf J, Martin TG, Castro CE, Ye L, Esensten JH, Eyquem J, Marson A. High-yield genome engineering in primary cells using a hybrid ssDNA repair template and small-molecule cocktails. Nat Biotechnol. 2022 Aug 25. doi: 10.1038/s41587-022-01418-8. Epub ahead of print. PMID: 36008610.