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Ilorasertib

CAT: 0931-TQ0059-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0059-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1227939-82-3
Target
Aurora Kinase, c-RET, VEGFR, FLT, PDGFR
Related Pathways
Tyrosine Kinase/Adaptors, Chromatin/Epigenetic, Angiogenesis, Cell Cycle/Checkpoint, Apoptosis
Purity
0.9803
Bioactivity
Ilorasertib (ABT-348) (ABT-348) is an ATP-competitive multitargeted kinase inhibitor, which inhibits Aurora A/Aurora B/Aurora C (IC50s: 120 nM/7 nM/1 nM) . It also suppresses RET tyrosine kinase, PDGFRβ, and Flt1 (IC50s: 7 nM, 3 nM, and 32 nM) .
Smiles
NC1=C2C(=C(C=N1)C3=CN(CCO)N=C3)SC=C2C4=CC=C(NC(NC5=CC(F)=CC=C5)=O)C=C4
Molecular Formula
C25H21FN6O2S
Molecular Weight
488.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ilorasertib

Ilorasertib has been used in trials studying the treatment of Myelodysplasia, Solid Neoplasm, Advanced Cancers, Advanced Solid Tumors, and Acute Myelogenous Leukemia, among others.

CAS Number1227939-82-3
PubChem CID46207586
IUPAC Name1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
Molecular FormulaC25H21FN6O2S
Molecular Weight488.5
XLogP3
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity713
SMILES
C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N
InChI
InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
InChIKey
WPHKIQPVPYJNAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ilorasertib
CAS: 1227939-82-3
CID: 46207586
Formula: C25H21FN6O2S
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.5
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass488.14307327
Monoisotopic Mass488.14307327
Topological Polar Surface Area146 Ų
Heavy Atom Count35
Formal Charge0
Complexity713
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
GTR19166331-01Ilorasertib
GTR19205592Ilorasertib hydrochloride
A20982-200Ilorasertib 200mg
A20982-25Ilorasertib 25mg
A20982-5Ilorasertib 5mg
HY-16018A-01Ilorasertib (hydrochloride)
A20982-1Ilorasertib 1mg
A20982-100Ilorasertib 100mg
A20982-50Ilorasertib 50mg
A20982-10Ilorasertib 10mg

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