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TC-2559 difumarate

CAT: 0931-T40119-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T40119-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2454492-41-0
Target
AChR, Others
Related Pathways
Neuroscience, Others
Bioactivity
TC-2559 idifumarate is a CNS-selective, orally active α4β2 subtype of nicotinic acetylcholine receptor (nAChR) partial agonist with an EC50 of 0.18 μM. It exhibits selectivity for α4β2 receptors over α2β4, α4β4, and α3β4 receptors, with EC50s ranging from 10 to 30 μM. TC-2559 difumarate also demonstrates antinociceptive effects.
Smiles
OC(/C=C/C(O)=O)=O.CNCC/C=C/C1=CN=CC(OCC)=C1.OC(/C=C/C(O)=O)=O
Molecular Formula
C20H26N2O9
Molecular Weight
438.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TC 2559 Difumarate
CAS Number2454492-41-0
PubChem CID56972184
IUPAC Namebis((E)-but-2-enedioic acid);(E)-4-(5-ethoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
Molecular FormulaC20H26N2O9
Molecular Weight438.4
Topological Polar Surface Area183
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity301
SMILES
CCOC1=CN=CC(=C1)/C=C/CCNC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C12H18N2O.2C4H4O4/c1-3-15-12-8-11(9-14-10-12)6-4-5-7-13-2;2*5-3(6)1-2-4(7)8/h4,6,8-10,13H,3,5,7H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b6-4+;2*2-1+
InChIKey
GEWVPSJQGJBDLM-MYBAKCFCSA-N
Chemical Structure
2D Structure
2D structure of TC 2559 Difumarate
CAS: 2454492-41-0
CID: 56972184
Formula: C20H26N2O9
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass438.16383041
Monoisotopic Mass438.16383041
Topological Polar Surface Area183 Ų
Heavy Atom Count31
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

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B7168-50TC 2559 difumarate
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584682TC 2559 (fumarate)
MIA33235-01TC 2559 Fumarate
HY-107667TC-2559 (fumarate)
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