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VE-822

CAT: 0607-B1383-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1383-50Size:50 mg
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Description
ATR inhibitor
CAS Number
1232416-25-9
Product Name Alternative
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
Field of Research
Cell Cycle Checkpoint ATM ATR DNA Damage DNA Repair ATM ATR
Purity
0.9898
Solubility
≥50 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
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
Molecular Formula
C24H25N5O3S
Molecular Weight
463.55
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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

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Alternative Products

CatalogName
2840-5VE-822
FV137734-01VE 822
A13289-500VE-822 500mg
A13289-10VE-822 10mg
C12443-10mM/1mLBerzosertib (VE-822)
A13289-200VE-822 200mg
A13289-5VE-822 5mg
A13289-1VE-822 1mg
A13289-50VE-822 50mg
A13289-25VE-822 25mg

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