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CU-32

CAT: 0013-GTR19189999-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189999-03Size:10 mg
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Description
CU-32 is a selective cGAS inhibitor (IC50=0.45 μM) that suppresses DNA-induced IFN-β production in THP-1 cells without affecting RIG-I or TLR pathways. This tool compound is used in vitro to study the cGAS-STING signaling axis in autoimmunity, viral infection, and cancer-related inflammation research.
CAS Number
2400954-16-5
Field of Research
Immunology & Inflammation
Smiles
N (C=1N=C (C (OC) =O) N=C (N) N1) C2=CC=C (I) C=C2
Molecular Formula
C11H10IN5O2
Molecular Weight
371.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
CAS Number2400954-16-5
PubChem CID146317014
IUPAC Namemethyl 4-amino-6-(4-iodoanilino)-1,3,5-triazine-2-carboxylate
Molecular FormulaC11H10IN5O2
Molecular Weight371.13
XLogP2.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity311
SMILES
COC(=O)C1=NC(=NC(=N1)NC2=CC=C(C=C2)I)N
InChI
InChI=1S/C11H10IN5O2/c1-19-9(18)8-15-10(13)17-11(16-8)14-7-4-2-6(12)3-5-7/h2-5H,1H3,(H3,13,14,15,16,17)
InChIKey
QVIGCTKZZBSSBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-amino-6-((4-iodophenyl)amino)-1,3,5-triazine-2-carboxylate
CAS: 2400954-16-5
CID: 146317014
Formula: C11H10IN5O2
MW: 371.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.13
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass370.98792
Monoisotopic Mass370.98792
Topological Polar Surface Area103 Ų
Heavy Atom Count19
Formal Charge0
Complexity311
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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