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VA012

CAT: 0804-HY-124821-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124821-02Size:10 mg
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Description
VA012 (compound 11) is a positive allosteric modulator (PAM) of the serotonin 5-HT2C receptor. VA012 reduces food intake and body weight gain without causing CNS-related malaise during subchronic administration. VA012 can be utilized in obesity research[1].
CAS Number
885898-58-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/va012.html
Purity
99.34
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N1(CC2=CC=CC=C2)C=C(CNC3=CC=CN=C3)C4=C1C=CC=C4
Molecular Formula
C21H19N3
Molecular Weight
313.40
Precautions
H302, H315, H319, H335
References & Citations
[1]García-Cárceles J, et al. A Positive Allosteric Modulator of the Serotonin 5-HT2C Receptor for Obesity. J Med Chem. 2017 Dec 14;60 (23) :9575-9584.
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
5-HT2 Receptor

Chemical Information

N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine
CAS Number885898-58-8
PubChem CID1497577
IUPAC NameN-[(1-benzylindol-3-yl)methyl]pyridin-3-amine
Molecular FormulaC21H19N3
Molecular Weight313.4
XLogP4
Topological Polar Surface Area29.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity379
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CNC4=CN=CC=C4
InChI
InChI=1S/C21H19N3/c1-2-7-17(8-3-1)15-24-16-18(20-10-4-5-11-21(20)24)13-23-19-9-6-12-22-14-19/h1-12,14,16,23H,13,15H2
InChIKey
FXRHZHGEENHPFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine
CAS: 885898-58-8
CID: 1497577
Formula: C21H19N3
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass313.157897619
Monoisotopic Mass313.157897619
Topological Polar Surface Area29.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity379
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

Alternative Products

CatalogName
462372VA012

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