Nedisertib (M3814, Peposertib, MSC2490484A) is an orally available, highly potent and selective inhibitor of DNA-activated protein kinase (DNA-PK) with an IC50 value less than 3 nM.

 

Brand: BCM

 

Target: DNA-PK

 

In Vitro: M3814 potently inhibits DNA-PK catalytic activity and sensitizes multiple cancer cell lines to ionizing radiation (IR) and DSB-inducing agents. Inhibition of DNA-PK autophosphorylation in cancer cells leads to an increased number of persistent DSBs.

 

Melting Point: >198°C (dec.)

 

Boiling Point: 716.0±60.0 °C(Predicted)

 

pKa: 11.35±0.20(Predicted)

 

Solubility: Soluble in DMSO; soluble in Ethanol. Insoluble in Water.

 

Isomeric SMILES: COC1=NN=C(C=C1)[C@H](C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O  

 

InChIKey: MOWXJLUYGFNTAL-DEOSSOPVSA-N  

 

InChI: 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

 

Attribute
[CAS No.]	1637542-33-6
[MDL No.]	MFCD31619234
[Formula]	C24H21ClFN5O3
[Molecular]	481.91
[Form]	Pale Yellow to Light Green Solid
[Chem Name]	(S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
[Synonym]	M-3814; Peposertib; MSC2490484A
[Storage]	Stored at -20°C

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