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Biphenylindanone A

CAT: 0804-HY-15442-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15442-01Size:5 mg
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Description
Biphenylindanone A (BINA) is a selective human mGluR2 (hmGluR2) potentiator for the treatment of many neurological disorders[1].
CAS Number
866823-73-6
Product Name Alternative
BINA
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MGluR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/biphenylindanone-a.html
Purity
99.12
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(C2=CC=CC(COC3=CC4=C(C(C(C5CCCC5)C4)=O)C(C)=C3C)=C2)C=C1)O
Molecular Formula
C30H30O4
Molecular Weight
454.56
Precautions
H302, H315, H319, H335
References & Citations
[1]Rowe BA, et al. Transposition of three amino acids transforms the human metabotropic glutamate receptor (mGluR) -3-positive allosteric modulation site to mGluR2, and additional characterization of the mGluR2-positive allosteric modulation site. J Pharmacol Exp Ther. 2008 Jul;326 (1) :240-51.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MGluR2

Chemical Information

biphenyl-indanone A

Biphenylindanone a is a member of biphenyls.

CAS Number866823-73-6
PubChem CID9868580
IUPAC Name4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid
Molecular FormulaC30H30O4
Molecular Weight454.6
XLogP7.2
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity719
SMILES
CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC(=CC=C4)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
InChIKey
KMKBEESNZAPKMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of biphenyl-indanone A
CAS: 866823-73-6
CID: 9868580
Formula: C30H30O4
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass454.21440943
Monoisotopic Mass454.21440943
Topological Polar Surface Area63.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19203921-01Biphenylindanone A

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