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Barasertib

CAT: 0127-BUP02137-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02137-01Size:2 mg
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CAS Number
722543-31-9
Synonyms
AZD1152
Purity
=98%
Smiles
CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(O)(O)=O

Chemical Information

Barasertib

AZT-1152 is a dihydrogen phosphate prodrug of a pyrazoloquinazoline aurora kinase inhibitor AZD1152-hydroxyquinazoline pyrazol anilide(HQPA) and is converted rapidly to the active AZD1152-HQPA in plasma. It has a role as an antineoplastic agent, a prodrug and an Aurora kinase inhibitor. It is an anilide, a secondary carboxamide, a monoalkyl phosphate, a member of pyrazoles, a member of quinazolines, a secondary amino compound, a tertiary amino compound and a member of monofluorobenzenes. It is functionally related to an AZD-1152.

CAS Number722543-31-9
PubChem CID11497983
IUPAC Name2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate
Molecular FormulaC26H31FN7O6P
Molecular Weight587.5
XLogP-0.4
Topological Polar Surface Area175
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count41
Formal Charge0
Complexity859
SMILES
CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOP(=O)(O)O
InChI
InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
InChIKey
GBJVVSCPOBPEIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Barasertib
CAS: 722543-31-9
CID: 11497983
Formula: C26H31FN7O6P
MW: 587.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.5
XLogP3-0.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass587.20574689
Monoisotopic Mass587.20574689
Topological Polar Surface Area175 Ų
Heavy Atom Count41
Formal Charge0
Complexity859
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
442111-01Barasertib
HY-10127ABarasertib (dihydrochloride)
HY-10127RBarasertib (Standard)
MBS130062-01Barasertib (AZD1152)
FB32080-01Barasertib-HQPA
C07472-5mgAZD1152 (Barasertib)
HY-10126RBarasertib-HQPA (Standard)
C07558-1gBarasertib (AZD1152-HQPA)

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