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Ispronicline

CAT: 0931-T27636-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T27636-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
252870-53-4
Target
AChR
Related Pathways
Neuroscience
Purity
0.9916
Bioactivity
Ispronicline (TC-1734) An orally active, selective, and potent α4β2 nAChR partial agonist with antidepressant, neuroprotective, and long-lasting cognitive effects.Ispronicline has a high affinity for the α4β2 nAChR with a Ki= 11 nM.
Smiles
CN[C@@H](C)C\C=C\c1cncc(OC(C)C)c1
Molecular Formula
C14H22N2O
Molecular Weight
234.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ispronicline

Ispronicline is under investigation in clinical trial NCT00109564 (A Safety and Efficacy Study of Ispronicline (TC-1734-112) in Subjects With Age Associated Memory Impairment (AAMI)).

CAS Number252870-53-4
PubChem CID9824145
IUPAC Name(E,2S)-N-methyl-5-(5-propan-2-yloxy-3-pyridinyl)pent-4-en-2-amine
Molecular FormulaC14H22N2O
Molecular Weight234.34
XLogP2.5
Topological Polar Surface Area34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity228
SMILES
C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC
InChI
InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1
InChIKey
RPCVIAXDAUMJJP-PZBABLGHSA-N
Chemical Structure
2D Structure
2D structure of Ispronicline
CAS: 252870-53-4
CID: 9824145
Formula: C14H22N2O
MW: 234.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.34
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass234.173213330
Monoisotopic Mass234.173213330
Topological Polar Surface Area34.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CKA87053-01Ispronicline
GTR19210420-01Ispronicline hemigalactarate
A14183-10Ispronicline 10mg
A14183-25Ispronicline 25mg
A14183-5Ispronicline 5mg
MBS3840239-01Ispronicline (TC-1734, AZD-3480)
A14183-100Ispronicline (TC-1734, AZD-3480) 100mg
A14183-50Ispronicline (TC-1734, AZD-3480) 50mg
A14183-2Ispronicline (TC-1734, AZD-3480) 2mg
A14183-10mM-DIspronicline (TC-1734, AZD-3480) 10mM * 1mL in DMSO

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