Enzyme Inhibitors

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M3814

AOB33363

CAS: 1637542-33-6

 

Chemical Name: Peposertib; Nedisertib; MSC2490484A; (S)-(2-chloro-4-fluoro-5-(7-morpholinoquinazolin-4-yl)phenyl)(6-methoxypyridazin-3-yl)methanol

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This product is discontinued for commercial reason.

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Data sheet

Molecular FormulaC24H21ClFN5O3
Molecular Weight481.91
CAS Numbers1637542-33-6
Storage Condition0°C (short term), -20°C (long term), desiccated
SolubilityDMSO
Purity98% by HPLC
SynonymMSC2490484A; 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
InChl KeyMOWXJLUYGFNTAL-DEOSSOPVSA-N
InChl CodeInChI=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 CodeCOC1=CC=C([C@@H](O)C2=CC(C3=C(C=CC(N4CCOCC4)=C5)C5=NC=N3)=C(F)C=C2Cl)N=N1
References1) Fu YW, et al., 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, et al., 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.

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Novel inhibitor of DNA-dependent protein kinase (DNA-PK)