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Isomer-GAT 107

CAT: 0013-GTR19219696-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219696-01Size:1 mg
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Description
(-) -GAT 107 is the inactive stereoisomer of the α7 nicotinic acetylcholine receptor positive allosteric modulator (+) -GAT 107. It serves as a crucial negative control compound in both in vitro and in vivo studies investigating the specific pharmacological effects mediated by the α7 nAChR target.
CAS Number
1426240-47-2
Product Name Alternative
Isomer-GAT 107, isomerGAT107, isomer-GAT107, isomer-GAT-107
Field of Research
Metabolism Research
Purity
99.33% (May vary between batches)
Solubility
DMSO:60 mg/mL (148.03 mM)
Smiles
S (N) (=O) (=O) C=1C=C2[C@]3 ([C@@] ([C@@H] (NC2=CC1) C4=CC=C (Br) C=C4) (CC=C3) [H]) [H]
Molecular Formula
C18H17BrN2O2S
Molecular Weight
405.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

isomer-GAT 107
CAS Number1426240-47-2
PubChem CID7441887
IUPAC Name(3aS,4R,9bR)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.3
XLogP3.6
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity595
SMILES
C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m1/s1
InChIKey
YNCXHXYZTLIZTO-VKJFTORMSA-N
Chemical Structure
2D Structure
2D structure of isomer-GAT 107
CAS: 1426240-47-2
CID: 7441887
Formula: C18H17BrN2O2S
MW: 405.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass404.01941
Monoisotopic Mass404.01941
Topological Polar Surface Area80.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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