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A-412997 (dihydrochloride)

CAT: 0804-HY-103424Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103424Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-412997 dihydrochloride is a selective dopamine D4 receptor agonist. A-412997 dihydrochloride improves cognitive performance in rats and can be used in the research of psychiatric diseases[1].
CAS Number
1347744-96-0
UNSPSC
12352005
Hazard Statement
H301, H315, H319, H335
Target
Dopamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/a-412997-dihydrochloride.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=CC=CC(C)=C1)CN2CCC(C3=NC=CC=C3)CC2.[H]Cl.[H]Cl
Molecular Formula
C19H25Cl2N3O
Molecular Weight
382.33
Precautions
H301, H315, H319, H335
References & Citations
[1]Browman KE, et al. A-412997, a selective dopamine D4 agonist, improves cognitive performance in rats. Pharmacol Biochem Behav. 2005 Sep;82 (1) :148-55.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(4-(pyridin-2-yl)piperidin-1-yl)-N-(m-tolyl)acetamide dihydrochloride
CAS Number1347744-96-0
PubChem CID90488953
IUPAC NameN-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide;dihydrochloride
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.3
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity379
SMILES
CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=N3.Cl.Cl
InChI
InChI=1S/C19H23N3O.2ClH/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18;;/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23);2*1H
InChIKey
KIGNSSHMCNBHQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(pyridin-2-yl)piperidin-1-yl)-N-(m-tolyl)acetamide dihydrochloride
CAS: 1347744-96-0
CID: 90488953
Formula: C19H25Cl2N3O
MW: 382.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass381.1374678
Monoisotopic Mass381.1374678
Topological Polar Surface Area45.2 Ų
Heavy Atom Count25
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 Count3
Compound Is CanonicalizedYes

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