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PDE8B-IN-1

CAT: 0804-HY-135711-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135711-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PDE8B-IN-1 is a selective inhibitor of phosphodiesterase 8B (PDE8B) with the activity of enhancing insulin secretion. PDE8B-IN-1 showed good efficacy in high-throughput screening and optimized its ligand efficiency through rapid deconstruction. PDE8B-IN-1 showed high target selectivity and good bioavailability in preclinical development, providing a basis for exploring its potential inhibitory use[1].
CAS Number
1305116-69-1
UNSPSC
12352005
Hazard Statement
H302
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/pde8b-in-1.html
Purity
99.91
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC1=C(N=NN2C[C@H]3CN(CC4=NC=CS4)CCO3)C2=NC(C)=N1
Molecular Formula
C14H18N8OS
Molecular Weight
346.41
Precautions
H302
References & Citations
[1]Discovery of triazolopyrimidine-based PDE8B inhibitors: exceptionally ligand-efficient and lipophilic ligand-efficient compounds for the treatment of diabetes
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

5-Methyl-3-[[(2R)-4-(2-thiazolylmethyl)-2-morpholinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-amine
CAS Number1305116-69-1
PubChem CID52938764
IUPAC Name5-methyl-3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
Molecular FormulaC14H18N8OS
Molecular Weight346.41
XLogP0
Topological Polar Surface Area136
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity432
SMILES
CC1=NC(=C2C(=N1)N(N=N2)C[C@H]3CN(CCO3)CC4=NC=CS4)N
InChI
InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
InChIKey
QGTJGTFOISKMAD-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-3-[[(2R)-4-(2-thiazolylmethyl)-2-morpholinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-amine
CAS: 1305116-69-1
CID: 52938764
Formula: C14H18N8OS
MW: 346.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.41
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass346.13242840
Monoisotopic Mass346.13242840
Topological Polar Surface Area136 Ų
Heavy Atom Count24
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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