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(1R,2S) -VU0155041

CAT: 0804-HY-14417A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14417A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(1R,2S) -VU0155041, Cis regioisomer of VU0155041, is a partial mGluR4 agonist with an EC50 of 2.35 μM.
CAS Number
1263273-14-8
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
MGluR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/_1R,2S_-VU0155041.html
Purity
95.09
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C([C@H]1[C@@H](C(NC2=CC(Cl)=CC(Cl)=C2)=O)CCCC1)O
Molecular Formula
C14H15Cl2NO3
Molecular Weight
316.18
Precautions
H315, H319, H335
References & Citations
[1]Niswender CM, et al. Discovery, characterization, and antiparkinsonian effect of novel positiveallosteric modulators of metabotropic glutamate receptor 4. Mol Pharmacol. 2008 Nov;74 (5) :1345-58.
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
MGluR4

Chemical Information

VU0155041

an mGluR4 agonist

CAS Number1263273-14-8
PubChem CID888023
IUPAC Namecis-(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.2
XLogP3.4
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity367
SMILES
C1CC[C@H]([C@H](C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H15Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1
InChIKey
VSMUYYFJVFSVCA-NWDGAFQWSA-N
Chemical Structure
2D Structure
2D structure of VU0155041
CAS: 1263273-14-8
CID: 888023
Formula: C14H15Cl2NO3
MW: 316.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.2
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass315.0428987
Monoisotopic Mass315.0428987
Topological Polar Surface Area66.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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