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TC-6987

CAT: 0013-GTR19241999-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241999-02Size:50 mg
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Description
TC-6987 is a selective α7 nicotinic acetylcholine receptor (α7 nAChR) open-channel stabilizer. It has shown anti-inflammatory and antioxidant effects in preclinical studies, supporting its research use in models of neuroinflammation and oxidative stress-related conditions.
CAS Number
1196701-27-5
Smiles
N (C (=O) C1=CC (F) =CC (F) =C1) [C@H]2[C@H] (CC=3C=CC=NC3) N4CCC2CC4
Molecular Formula
C20H21F2N3O
Molecular Weight
357.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tc-6987

TC-6987 is under investigation in clinical trial NCT01296087 (TC-6987 for the Treatment of Mild to Moderate Asthma).

CAS Number1196701-27-5
PubChem CID44511587
IUPAC Name3,5-difluoro-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
Molecular FormulaC20H21F2N3O
Molecular Weight357.4
XLogP3
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity487
SMILES
C1CN2CCC1[C@H]([C@@H]2CC3=CN=CC=C3)NC(=O)C4=CC(=CC(=C4)F)F
InChI
InChI=1S/C20H21F2N3O/c21-16-9-15(10-17(22)11-16)20(26)24-19-14-3-6-25(7-4-14)18(19)8-13-2-1-5-23-12-13/h1-2,5,9-12,14,18-19H,3-4,6-8H2,(H,24,26)/t18-,19+/m0/s1
InChIKey
UAKZGMMGIMKFMV-RBUKOAKNSA-N
Chemical Structure
2D Structure
2D structure of Tc-6987
CAS: 1196701-27-5
CID: 44511587
Formula: C20H21F2N3O
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass357.16526863
Monoisotopic Mass357.16526863
Topological Polar Surface Area45.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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