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Cenisertib

CAT: 0013-GTR19203840-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203840-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cenisertib is a potent ATP-competitive multi-kinase inhibitor targeting Aurora kinases, ABL1, AKT, STAT5, and FLT3. It suppresses tumor mast cell growth in vitro and demonstrates broad anti-tumor activity in xenograft models of pancreatic, breast, colon, ovarian, and lung cancers as well as leukemia.
CAS Number
871357-89-0
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
[H][C@@]12C[C@@] ([H]) (C=C1) [C@@H] ([C@@H]2Nc1nc (Nc2ccc (N3CCN (C) CC3) c (C) c2) ncc1F) C (N) =O
Molecular Formula
C24H30FN7O
Molecular Weight
451.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cenisertib

Cenisertib is an aurora kinase inhibitor.

CAS Number871357-89-0
PubChem CID11569967
IUPAC Name(1S,2S,3R,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
Molecular FormulaC24H30FN7O
Molecular Weight451.5
XLogP3.2
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity730
SMILES
CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)N[C@@H]3[C@@H]4C[C@H]([C@@H]3C(=O)N)C=C4)F)N5CCN(CC5)C
InChI
InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1
InChIKey
KSOVGRCOLZZTPF-QMKUDKLTSA-N
Chemical Structure
2D Structure
2D structure of Cenisertib
CAS: 871357-89-0
CID: 11569967
Formula: C24H30FN7O
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass451.24958677
Monoisotopic Mass451.24958677
Topological Polar Surface Area99.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity730
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3721-1Cenisertib
HY-13072BCenisertib (benzoate)
A11262-50Cenisertib 50mg
A11262-10Cenisertib 10mg
HY-13072R-01Cenisertib (Standard)
T71384-01Cenisertib benzoate
A11262-100Cenisertib 100mg
A11262-25Cenisertib 25mg
A11262-5Cenisertib 5mg
A11262-10mM-DCenisertib 10mM * 1mL in DMSO

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