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IDO-IN-12

CAT: 0013-GTR19177233-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177233-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IDO-IN-12 is a small molecule inhibitor targeting indoleamine 2,3-dioxygenase (IDO) . It is a research tool used in vitro and in vivo to study immunomodulation, cancer immunotherapy, and the kynurenine pathway in various disease models.
CAS Number
1888341-29-4
Product Name Alternative
IDO, IDO IN 12, IDOIN12, IDO-IN-12, Inhibitor, Indoleamine2,3Dioxygenase (IDO), Indoleamine2,3Dioxygenase, Indoleamine 2,3-Dioxygenase (IDO), Indoleamine 2,3-Dioxygenase, Indoleamine 2,3Dioxygenase (IDO), inhibit
Field of Research
Metabolism Research
Purity
99.61% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.81 mM) ; DMSO:65 mg/mL (156.16 mM)
Smiles
CSCCNc1nonc1-c1noc (=O) n1-c1ccc (F) c (Br) c1
Molecular Formula
C13H11BrFN5O3S
Molecular Weight
416.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ido-IN-12
CAS Number1888341-29-4
PubChem CID118973753
IUPAC Name4-(3-bromo-4-fluorophenyl)-3-[4-(2-methylsulfanylethylamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
Molecular FormulaC13H11BrFN5O3S
Molecular Weight416.23
XLogP3.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity502
SMILES
CSCCNC1=NON=C1C2=NOC(=O)N2C3=CC(=C(C=C3)F)Br
InChI
InChI=1S/C13H11BrFN5O3S/c1-24-5-4-16-11-10(17-23-18-11)12-19-22-13(21)20(12)7-2-3-9(15)8(14)6-7/h2-3,6H,4-5H2,1H3,(H,16,18)
InChIKey
OOHHWEREOQPCCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ido-IN-12
CAS: 1888341-29-4
CID: 118973753
Formula: C13H11BrFN5O3S
MW: 416.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.23
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass414.97500
Monoisotopic Mass414.97500
Topological Polar Surface Area118 Ų
Heavy Atom Count24
Formal Charge0
Complexity502
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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