| Identification | Back Directory | [Name]
VE 822 | [CAS]
1232416-25-9 | [Synonyms]
VX970
M6620
M-6620
M 6620
VE 822
CS-1487
Berzosertib
VE822; VE 822
VX970 (VE-822)
VE-822 (VX-970)
VE 822 USP/EP/BP
Berzosertib(VE-822)
VE-822 (Berzosertib)
Berzosertib (Synonyms: VE-822
M6620; M-6620; M 6620; VE822; VE-822; VE 822; VX970; VX-970; VX 970;
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
3-(3-{4-[(methylamino)methyl]phenyl}-1,2-oxazol-5-yl)-5-[4-(propane-2-sulfonyl)phenyl]pyrazin-2-amine
3-[3-[4-[(Methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-2-pyrazinamine
2-Pyrazinamine, 3-[3-[4-[(methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-
3-[3-[4-[(Methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-2-pyrazinamine VE-822
VE 822 3-[3-[4-[(Methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-2-pyrazinamine | [EINECS(EC#)]
1592732-453-0 | [Molecular Formula]
C24H25N5O3S | [MDL Number]
MFCD27976794 | [MOL File]
1232416-25-9.mol | [Molecular Weight]
463.552 |
| Chemical Properties | Back Directory | [Melting point ]
>197°C (dec.) | [Boiling point ]
674.4±55.0 °C(Predicted) | [density ]
1.263±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
8.88±0.10(Predicted) | [color ]
Light Yellow | [InChIKey]
JZCWLJDSIRUGIN-UHFFFAOYSA-N | [SMILES]
C1(N)=NC=C(C2=CC=C(S(C(C)C)(=O)=O)C=C2)N=C1C1ON=C(C2=CC=C(CNC)C=C2)C=1 |
| Hazard Information | Back Directory | [Uses]
3-[3-[4-[(Methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-2-pyrazinamine is a novel ATR (ATM-Rad3-related) inhibitor for in vitro and in vivo radiosensatization. | [Definition]
ChEBI: 3-[3-[4-(methylaminomethyl)phenyl]-5-isoxazolyl]-5-(4-propan-2-ylsulfonylphenyl)-2-pyrazinamine is a sulfonamide. | [in vivo]
PSN-1 xenografts are treated with Berzosertib (VE-822) (60 mk/kg; d0, 1), NSC 613327 (100 mg/kg; d0) and/or XRT (6 Gy; d1). Tumors are then harvested 2 h post-XRT. Berzosertib (VE-822) inhibits p-Ser-345-Chk1 in xenografts after DNA-damaging agents, establishing VE-822 as a potent inhibitor of ATR in vivo. Besides, Berzosertib (VE-822) enhances the therapeutic efficacy of radiation (XRT) in MiaPaCa-2 and PSN-1 xenograft models[1]. | [IC 50]
ATR: 0.2 nM (Ki); ATM: 34 nM (Ki); PI3Kγ: 220 nM (Ki) |
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