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Pronqodine A

CAT: 0804-HY-N16372Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N16372Size:1 Each
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Description
Pronqodine A is an Indoleamine 2,3-Dioxygenase (IDO) inhibitor, with an IC50 of 131.5 nM. Pronqodine A inhibits bradykinin-induced release of PGE2, 6-keto-prostaglandin F1α, PGD2 and induces the production of reactive oxygen species (ROS) in human synovial sarcoma SW982 cells. Pronqodine A is a good substrate for human quinone reductase NQO1. Pronqodine A can be used for the study of inflammation[1][2].
CAS Number
1424195-39-0
UNSPSC
12352005
Target
Indoleamine 2,3-Dioxygenase (IDO) ; Quinone Reductase; Reactive Oxygen Species (ROS)
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Field of Research
Inflammation/Immunology
Smiles
O=C1C=C(C(C2=C1SN=C2)=O)NC
Molecular Formula
C8H6N2O2S
Molecular Weight
194.21
References & Citations
[1]Nakae K, et al. NAD (P) H quinone oxidoreductase 1 (NQO1) -bioactivated pronqodine A regulates prostaglandin release from human synovial sarcoma cells. J Nat Prod. 2013 Apr 26;76 (4) :510-5. |[2]Blunt CE, et al. Synthesis and Intracellular Redox Cycling of Natural Quinones and Their Analogues and Identification of Indoleamine-2,3-dioxygenase (IDO) as Potential Target for Anticancer Activity. Angew Chem Int Ed Engl. 2015 Jul 20;54 (30) :8740-5.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Pronqodine A

Pronqodine A is a member of benzothiazoles.

CAS Number1424195-39-0
PubChem CID71665488
IUPAC Name5-(methylamino)-1,2-benzothiazole-4,7-dione
Molecular FormulaC8H6N2O2S
Molecular Weight194.21
XLogP1
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity301
SMILES
CNC1=CC(=O)C2=C(C1=O)C=NS2
InChI
InChI=1S/C8H6N2O2S/c1-9-5-2-6(11)8-4(7(5)12)3-10-13-8/h2-3,9H,1H3
InChIKey
FIAXOEDOQLZQMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pronqodine A
CAS: 1424195-39-0
CID: 71665488
Formula: C8H6N2O2S
MW: 194.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.21
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass194.01499861
Monoisotopic Mass194.01499861
Topological Polar Surface Area87.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity301
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

Alternative Products

CatalogName
GTR19255249-01Pronqodine A

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