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Barasertib-HQPA

CAT: 0931-T2602-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T2602-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
722544-51-6
Target
Aurora Kinase, Apoptosis
Related Pathways
Cell Cycle/Checkpoint, Apoptosis, Chromatin/Epigenetic
Purity
0.9929
Bioactivity
Barasertib-HQPA (AZD2811) is a highly selective Aurora B inhibitor with an IC50 of 0.37 nM, demonstrating approximately 3,700-fold greater selectivity for Aurora B over Aurora A.
Smiles
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1
Molecular Formula
C26H30FN7O3
Molecular Weight
507.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Defosbarasertib

AZD-1152 is a member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. It has a role as an antineoplastic agent and an Aurora kinase inhibitor. It is an anilide, a secondary carboxamide, a primary alcohol, a member of pyrazoles, a member of quinazolines, a secondary amino compound, a tertiary amino compound and a member of monofluorobenzenes.

CAS Number722544-51-6
PubChem CID16007391
IUPAC Name2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide
Molecular FormulaC26H30FN7O3
Molecular Weight507.6
XLogP3
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count37
Formal Charge0
Complexity693
SMILES
CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO
InChI
InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
InChIKey
QYZOGCMHVIGURT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Defosbarasertib
CAS: 722544-51-6
CID: 16007391
Formula: C26H30FN7O3
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass507.23941601
Monoisotopic Mass507.23941601
Topological Polar Surface Area128 Ų
Heavy Atom Count37
Formal Charge0
Complexity693
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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CatalogName
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