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VE822

CAT: 1410-M10919-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10919-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VE-822 is an ATR inhibitor with IC50 of 19 nM in HT29 cells.
CAS Number
1232416-25-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
463.55
Molecular Formula
C24H25N5O3S
Notes
Research use only, not for human use.
Receptor
ATM| ATR

Chemical Information

Berzosertib

3-[3-[4-(methylaminomethyl)phenyl]-5-isoxazolyl]-5-(4-propan-2-ylsulfonylphenyl)-2-pyrazinamine is a sulfonamide.

CAS Number1232416-25-9
PubChem CID59472121
IUPAC Name3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
Molecular FormulaC24H25N5O3S
Molecular Weight463.6
XLogP2.3
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity714
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N
InChI
InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
InChIKey
JZCWLJDSIRUGIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Berzosertib
CAS: 1232416-25-9
CID: 59472121
Formula: C24H25N5O3S
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass463.16781085
Monoisotopic Mass463.16781085
Topological Polar Surface Area132 Ų
Heavy Atom Count33
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3600919-01VE822

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