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IDO1-IN-25

CAT: 0931-T200055-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200055-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2841467-86-3
Target
IDO, Indoleamine 2,3-Dioxygenase (IDO)
Related Pathways
Metabolism
Bioactivity
IDO1-IN-25, a dual inhibitor of IDO1/TDO2, showcases IC50 values of 0.17 μM for IDO1 and 3.2 μM for TDO2. It effectively suppresses NO production in RAW264.7 cells following stimulation with lipopolysaccharide (LPS) . Additionally, IDO1-IN-25 demonstrates anti-inflammatory properties in a mouse ear edema model of acute inflammation induced by croton oil.
Smiles
O=S(C1=NC=2C=C(Cl)C(Cl)=CC2O1)CC3=CC=C(Cl)C=C3
Molecular Formula
C14H8Cl3NO2S
Molecular Weight
360.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ido1-IN-25
CAS Number2841467-86-3
PubChem CID165390740
IUPAC Name5,6-dichloro-2-[(4-chlorophenyl)methylsulfinyl]-1,3-benzoxazole
Molecular FormulaC14H8Cl3NO2S
Molecular Weight360.6
XLogP4.7
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity392
SMILES
C1=CC(=CC=C1CS(=O)C2=NC3=CC(=C(C=C3O2)Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl3NO2S/c15-9-3-1-8(2-4-9)7-21(19)14-18-12-5-10(16)11(17)6-13(12)20-14/h1-6H,7H2
InChIKey
QMHPTJIYGUAXKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ido1-IN-25
CAS: 2841467-86-3
CID: 165390740
Formula: C14H8Cl3NO2S
MW: 360.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.6
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass358.934133
Monoisotopic Mass358.934133
Topological Polar Surface Area62.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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