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NCGC00351170

CAT: 0804-HY-162558-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162558-01Size:5 mg
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Description
NCGC00351170 is an antiplatelet agent that disrupts the calcium and integrin-binding protein 1 (CIB1) -αIIbβ3 interaction. NCGC00351170 inhibits thrombin-induced human platelet aggregation[1].
CAS Number
886536-76-1
UNSPSC
12352005
Target
Factor Xa
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/ncgc00351170.html
Purity
99.05
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=[N+]([O-])ON=C1C(C2=CC=CC=C2OC)=O)C3=C(OC)C=CC=C3
Molecular Formula
C18H14N2O6
Molecular Weight
354.31
References & Citations
[1]Golla K, et al. Small-Molecule Disruptors of the Interaction between Calcium-and Integrin-Binding Protein 1 and Integrin αIIbβ3 as Novel Antiplatelet Agents[J]. ACS Pharmacology & Translational Science, 2024.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

[4-(2-Methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(2-methoxyphenyl)methanone
CAS Number886536-76-1
PubChem CID86242782
IUPAC Name[4-(2-methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(2-methoxyphenyl)methanone
Molecular FormulaC18H14N2O6
Molecular Weight354.3
XLogP3.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity516
SMILES
COC1=CC=CC=C1C(=O)C2=NO[N+](=C2C(=O)C3=CC=CC=C3OC)[O-]
InChI
InChI=1S/C18H14N2O6/c1-24-13-9-5-3-7-11(13)17(21)15-16(20(23)26-19-15)18(22)12-8-4-6-10-14(12)25-2/h3-10H,1-2H3
InChIKey
CCDAHVUOLADKGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(2-Methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(2-methoxyphenyl)methanone
CAS: 886536-76-1
CID: 86242782
Formula: C18H14N2O6
MW: 354.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.3
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass354.08518617
Monoisotopic Mass354.08518617
Topological Polar Surface Area104 Ų
Heavy Atom Count26
Formal Charge0
Complexity516
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
GTR19234175-01NCGC00351170

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