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ATIC-IN-2

CAT: 0013-GTR19250234Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250234Size:1 mg
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Description
ATIC-IN-2 (Compound 1) is a potent and competitive inhibitor of the bifunctional enzyme ATIC, specifically targeting its IMP cyclohydrolase (IMPCH) domain with a Ki of 0.13 μM. This small molecule is a valuable research tool for studying purine biosynthesis in vitro and has been used to investigate metabolic pathways in cancer research.
CAS Number
67095-44-7
Field of Research
Cell Biology, Molecular Biology
Smiles
O=C1NS (=O) (=O) NC=2N=CNC12
Molecular Formula
C4H4N4O3S
Molecular Weight
188.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,5-Dihydroimidazo[4,5-C][1,2,6]thiadiazin-4(3h)-One 2,2-Dioxide
CAS Number67095-44-7
PubChem CID12413165
IUPAC Name2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-one
Molecular FormulaC4H4N4O3S
Molecular Weight188.17
XLogP-1.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity307
SMILES
C1=NC2=C(N1)C(=O)NS(=O)(=O)N2
InChI
InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)
InChIKey
BSAXWMSAVVOOHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,5-Dihydroimidazo[4,5-C][1,2,6]thiadiazin-4(3h)-One 2,2-Dioxide
CAS: 67095-44-7
CID: 12413165
Formula: C4H4N4O3S
MW: 188.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.17
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass188.00041118
Monoisotopic Mass188.00041118
Topological Polar Surface Area112 Ų
Heavy Atom Count12
Formal Charge0
Complexity307
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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