ABP688

CAT: 1410-M34150-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1410-M34150-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

ABP688 is a non-competitive and selective mGluR5 antagonist (Ki = 1.7 nM) . ABP688 can be used as a PET tracer for clinical imaging.

CAS Number

924298-51-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

240.3

Molecular Formula

C15H16N2O

Notes

Research use only, not for human use.

Receptor

GluR

Chemical Information

(E)-3-(2-(6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone O-methyl oxime

CAS Number	924298-51-1
PubChem CID	11481862
IUPAC Name	(E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
Molecular Formula	C15H16N2O
Molecular Weight	240.30
XLogP	2.4
Topological Polar Surface Area	34.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	411

SMILES

CC1=NC(=CC=C1)C#CC2=C/C(=N/OC)/CCC2

InChI

InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+

InChIKey

CNNZLFXCUQLKOB-BMRADRMJSA-N

Chemical Structure

2D Structure

CAS: 924298-51-1

CID: 11481862

Formula: C15H16N2O

MW: 240.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.30
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	240.126263138
Monoisotopic Mass	240.126263138
Topological Polar Surface Area	34.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	411
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA5575-25	ABP688