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BOMA

CAT: 0804-HY-169808Size: 1 EachDry Ice: NoHazardous: No
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Description
BOMA (Compound 7) is a potent and selective metabotropic glutamate receptor 5 (mGluR 5) antagonist with an IC50 value of 3 nM and an Ki value of 3 nM. BOMA is promising for research of various pain states, including acute, persistent and chronic pain, inflammatory pain and neuropathic pain[1].
CAS Number
540496-84-2
UNSPSC
12352005
Target
MGluR
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
N#CCC1=CC=C(C2=NC3=C(O2)C=CC=C3)C=C1OC
Molecular Formula
C16H12N2O2
Molecular Weight
264.28
References & Citations
[1]Wang B, et al. Discovery of novel modulators of metabotropic glutamate receptor subtype-5. Bioorg Med Chem. 2004 Jan 2;12 (1) :17-21.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MGluR5

Chemical Information

Boma
CAS Number540496-84-2
PubChem CID10192854
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]acetonitrile
Molecular FormulaC16H12N2O2
Molecular Weight264.28
XLogP3.1
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity378
SMILES
COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)CC#N
InChI
InChI=1S/C16H12N2O2/c1-19-15-10-12(7-6-11(15)8-9-17)16-18-13-4-2-3-5-14(13)20-16/h2-7,10H,8H2,1H3
InChIKey
LWSOZPNJUFEDJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boma
CAS: 540496-84-2
CID: 10192854
Formula: C16H12N2O2
MW: 264.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.28
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass264.089877630
Monoisotopic Mass264.089877630
Topological Polar Surface Area59.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity378
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

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