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TACC3 inhibitor 2

CAT: 0013-GTR19249476-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249476-01Size:50 mg
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Description
Compound 13b (TACC3 inhibitor 2) is a potent small molecule inhibitor of TACC3 with an IC50 of 200 nM. It promotes mitotic arrest, apoptosis, and DNA damage in vitro, making it a useful chemical probe for cancer research, particularly in studying cell cycle dysregulation.
CAS Number
2642351-96-8
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
FC=1C=C (OC) C=CC1C2=NOC (=C2) NC3=NC (=NC=C3) N4CCC (C) CC4
Molecular Formula
C20H22FN5O2
Molecular Weight
383.419
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TACC3 inhibitor 2
CAS Number2642351-96-8
PubChem CID156368817
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
Molecular FormulaC20H22FN5O2
Molecular Weight383.4
XLogP4.3
Topological Polar Surface Area76.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity493
SMILES
CC1CCN(CC1)C2=NC=CC(=N2)NC3=CC(=NO3)C4=C(C=C(C=C4)OC)F
InChI
InChI=1S/C20H22FN5O2/c1-13-6-9-26(10-7-13)20-22-8-5-18(24-20)23-19-12-17(25-28-19)15-4-3-14(27-2)11-16(15)21/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23,24)
InChIKey
ISULYQVKGDSALS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TACC3 inhibitor 2
CAS: 2642351-96-8
CID: 156368817
Formula: C20H22FN5O2
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass383.17575312
Monoisotopic Mass383.17575312
Topological Polar Surface Area76.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity493
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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