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NSI189

CAT: 0013-GTR19178004-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19178004-01Size:1 ml x 10 mM (in DMSO)
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Description
NSI-189 is a synthetic small molecule nootropic compound derived from nicotinamide and pyrazine structures. Preclinical research indicates it has been investigated in vitro and in vivo for its potential neurogenic and neurotrophic effects, with studies exploring applications in models of cognitive function and mood.
CAS Number
1270138-40-3
Product Name Alternative
NSI 189, NSI189, NSI-189
Field of Research
Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
DMSO:50 mg/mL (136.43 mM)
Smiles
CC (C) CCNc1ncccc1C (=O) N1CCN (Cc2ccccc2) CC1
Molecular Formula
C22H30N4O
Molecular Weight
366.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone

NSI-189 is a pyridinemonocarboxylic acid and an aromatic carboxylic acid.

CAS Number1270138-40-3
PubChem CID50922681
IUPAC Name(4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
Molecular FormulaC22H30N4O
Molecular Weight366.5
XLogP4.2
Topological Polar Surface Area48.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity442
SMILES
CC(C)CCNC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H30N4O/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24)
InChIKey
DYTOQURYRYYNOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CAS: 1270138-40-3
CID: 50922681
Formula: C22H30N4O
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass366.24196159
Monoisotopic Mass366.24196159
Topological Polar Surface Area48.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity442
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

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