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PKG drug G1

CAT: 0804-HY-112197-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112197-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PKG agent G1 targets C42 of PKG Iα. PKG agent G1 can couple to vasodilation and blood pressure lowering by a C42 PKG Iα-independent mechanism.
CAS Number
374703-78-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
PKG
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/PKG_drug_G1.html
Purity
99.11
Solubility
DMSO : 75 mg/mL (ultrasonic)
Smiles
O=C(/C(N1)=C/C2=C(C)NC3=C2C=CC=C3)NC1=S
Molecular Formula
C13H11N3OS
Molecular Weight
257.31
Precautions
H302, H315, H319
References & Citations
[1]Burgoyne JR, et al. Proof of Principle for a Novel Class of Antihypertensives That Target the Oxidative Activation of PKG Iα (Protein Kinase G Iα) . Hypertension. 2017 Sep;70 (3) :577-586.
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

PKG drug G1
CAS Number374703-78-3
PubChem CID135402990
IUPAC Name4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
Molecular FormulaC13H11N3OS
Molecular Weight257.31
XLogP1.2
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity492
SMILES
CC\1=NC2=CC=CC=C2/C1=C/C3=C(NC(=S)N3)O
InChI
InChI=1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18)/b9-6+
InChIKey
BPJCCABLAZZIEJ-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of PKG drug G1
CAS: 374703-78-3
CID: 135402990
Formula: C13H11N3OS
MW: 257.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.31
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass257.06228316
Monoisotopic Mass257.06228316
Topological Polar Surface Area88.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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