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AVE3085

CAT: 0804-HY-19504-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19504-02Size:5 mg
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Description
AVE3085 is a potent endothelial nitric oxide synthase enhancer, used for cardiovascular disease treatment.
CAS Number
450348-85-3
UNSPSC
12352005
Target
NO Synthase
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/AVE-3085.html
Purity
99.42
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(OC(F)(F)O2)C2=C1)NC3CC4=C(C=CC=C4)C3
Molecular Formula
C17H13F2NO3
Molecular Weight
317.29
References & Citations
[1]Chen Y, et al. AVE 3085, a novel endothelial nitric oxide synthase enhancer, attenuates cardiac remodeling in mice through the Smad signaling pathway. Arch Biochem Biophys. 2015 Mar 15;570:8-13.|[2]Xue HM, et al. AVE3085 protects coronary endothelium from the impairment of asymmetric dimethylarginine by activation and recoupling of eNOS. Cardiovasc Drugs Ther. 2012 Oct;26 (5) :383-92.|[3]Yang Q, et al. AVE3085, an enhancer of endothelial nitric oxide synthase, restores endothelial function and reduces blood pressure in spontaneously hypertensive rats. Br J Pharmacol. 2011 Jul;163 (5) :1078-85
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ENOS

Chemical Information

Ave-3085
CAS Number450348-85-3
PubChem CID3510704
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide
Molecular FormulaC17H13F2NO3
Molecular Weight317.29
XLogP3.8
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity459
SMILES
C1C(CC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OC(O4)(F)F
InChI
InChI=1S/C17H13F2NO3/c18-17(19)22-14-6-5-12(9-15(14)23-17)16(21)20-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,20,21)
InChIKey
OKCJNSDIVCXYAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ave-3085
CAS: 450348-85-3
CID: 3510704
Formula: C17H13F2NO3
MW: 317.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.29
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass317.08634960
Monoisotopic Mass317.08634960
Topological Polar Surface Area47.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity459
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
GTR19203999-01AVE3085

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