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IDO-IN-18

CAT: 0804-HY-153764-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153764-01Size:5 mg
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Description
IDO-IN-18 (Compound 00815) is an IDO inhibitor. IDO-IN-18 can be used for research of immunosuppression associated infectious or cancer diseases[1].
CAS Number
314027-92-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Indoleamine 2,3-Dioxygenase (IDO)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ido-in-18.html
Purity
96.34
Solubility
DMSO : 16.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(O)CSC1=NN=CC2=C1C=CC=C2
Molecular Formula
C10H8N2O2S
Molecular Weight
220.25
Precautions
H302, H315, H319
References & Citations
[1]Mario Mautino, et al. Preparation and disclosure of indoleamine 2,3-dioxygenase (IDO) inhibitors. Patent. WO2009073620.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Acetic acid, 2-(1-phthalazinylthio)-
CAS Number314027-92-4
PubChem CID3776754
IUPAC Name2-phthalazin-1-ylsulfanylacetic acid
Molecular FormulaC10H8N2O2S
Molecular Weight220.25
XLogP1.6
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
C1=CC=C2C(=C1)C=NN=C2SCC(=O)O
InChI
InChI=1S/C10H8N2O2S/c13-9(14)6-15-10-8-4-2-1-3-7(8)5-11-12-10/h1-5H,6H2,(H,13,14)
InChIKey
PALYUVYEAVDKLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetic acid, 2-(1-phthalazinylthio)-
CAS: 314027-92-4
CID: 3776754
Formula: C10H8N2O2S
MW: 220.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.25
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass220.03064868
Monoisotopic Mass220.03064868
Topological Polar Surface Area88.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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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