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(Rac) -VU 6008667

CAT: 0804-HY-101281A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101281A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(Rac) -VU 6008667 is a selective negative allosteric modulator of muscarinic acetylcholine receptor subtype 5 (M5 NAM) (IC50=1.8 μM, pIC50= 5.75), has high CNS penetration[1].
CAS Number
2092917-63-8
UNSPSC
12352005
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/rac-vu-6008667.html
Purity
99.85
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C1N2C(N(C(C3=CC=C(F)C(F)=C3)=O)CC2)(C4=CC=C(Cl)C(C)=C4)C5=C1C=CC=C5
Molecular Formula
C24H17ClF2N2O2
Molecular Weight
438.85
References & Citations
[1]McGowan KM et al, Continued optimization of the M5 NAM ML375: Discovery of VU6008667, an M5 NAM with high CNS penetration and a desired short half-life in rat for addiction studies. Bioorg Med Chem Lett. 2017 Mar 15;27 (6) :1356-1359.
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
MAChR5

Chemical Information

(Rac)-VU 6008667
CAS Number2092917-63-8
PubChem CID137640100
IUPAC Name9b-(4-chloro-3-methylphenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Molecular FormulaC24H17ClF2N2O2
Molecular Weight438.9
XLogP4.7
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity738
SMILES
CC1=C(C=CC(=C1)C23C4=CC=CC=C4C(=O)N2CCN3C(=O)C5=CC(=C(C=C5)F)F)Cl
InChI
InChI=1S/C24H17ClF2N2O2/c1-14-12-16(7-8-19(14)25)24-18-5-3-2-4-17(18)23(31)29(24)11-10-28(24)22(30)15-6-9-20(26)21(27)13-15/h2-9,12-13H,10-11H2,1H3
InChIKey
XMSLRELXMCKGCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Rac)-VU 6008667
CAS: 2092917-63-8
CID: 137640100
Formula: C24H17ClF2N2O2
MW: 438.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.9
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass438.0946618
Monoisotopic Mass438.0946618
Topological Polar Surface Area40.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity738
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

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