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AVE3085

CAT: 0013-GTR19203999-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203999-01Size:1 mg
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Description
AVE3085 is a small molecule eNOS enhancer used in cardiovascular research. It demonstrates efficacy in restoring endothelial function and lowering blood pressure in vivo using models like spontaneously hypertensive rats, supporting investigations into hypertension and endothelial dysfunction.
CAS Number
450348-85-3
Product Name Alternative
AVE 3085, AVE3085, AVE-3085
Field of Research
Immunology & Inflammation
Purity
99.87% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:3.3 mg/mL (10.4 mM) ; DMSO:200 mg/mL (630.34 mM)
Smiles
O=C (NC1CC=2C=CC=CC2C1) C3=CC=C4OC (F) (F) OC4=C3
Molecular Formula
C17H13F2NO3
Molecular Weight
317.29
Storage Conditions
-20°C
Notes
For research use only.

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
ATA34885-01AVE3085

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