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Ataquimast

CAT: 0013-GTR19171543-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171543-01Size:1 mg
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Description
Ataquimast is a research compound for the study of advanced hormone receptor-positive breast cancer. It is utilized in both in vitro and in vivo experimental models to investigate targeted therapeutic strategies and mechanisms of action in oncology research.
CAS Number
182316-31-0
Product Name Alternative
Ataquimast
Field of Research
Cell Biology, Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Purity
99.89% (May vary between batches)
Solubility
DMSO:14 mg/mL (58.41 mM)
Smiles
O=C1N (CC) C2=C (C=CC=C2) N=C1NC.[H]Cl
Molecular Formula
C11H14ClN3O
Molecular Weight
239.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ataquimast

Ataquimast is a small molecule drug. Ataquimast has a monoisotopic molecular weight of 203.11 Da.

CAS Number182316-31-0
PubChem CID179341
IUPAC Name1-ethyl-3-(methylamino)quinoxalin-2-one
Molecular FormulaC11H13N3O
Molecular Weight203.24
XLogP1.1
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity288
SMILES
CCN1C2=CC=CC=C2N=C(C1=O)NC
InChI
InChI=1S/C11H13N3O/c1-3-14-9-7-5-4-6-8(9)13-10(12-2)11(14)15/h4-7H,3H2,1-2H3,(H,12,13)
InChIKey
ZQAGGAUAOFYNIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ataquimast
CAS: 182316-31-0
CID: 179341
Formula: C11H13N3O
MW: 203.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.24
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass203.105862047
Monoisotopic Mass203.105862047
Topological Polar Surface Area44.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity288
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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