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LI-633

CAT: 0013-GTR19274694-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274694-02Size:50 mg
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Description
LI-633 is a selective orally bioactive GABAA receptor positive allosteric modulator (PAM) with a Ki value of 21 nM. It significantly enhances GABA-induced inward currents, with EC50 values ranging from 8 nM (α5β2γ2) to 128 nM (α3β2γ2) . LI-633 also increases muscimol-induced GABAergic currents in rat dorsal root ganglion (DRG) neurons, with an EC50 of 70.4 nM. LI-633 is useful for studying visceral pain.
CAS Number
1849624-82-3
Smiles
O=C (O) C=1N=C2N (C1) C=3C=CC (Cl) =CC3C (=NC2) C=4C=CC=CC4F
Molecular Formula
C18H11ClFN3O2
Molecular Weight
355.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
CAS Number1849624-82-3
PubChem CID118609608
IUPAC Name8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
Molecular FormulaC18H11ClFN3O2
Molecular Weight355.7
XLogP3.4
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity560
SMILES
C1C2=NC(=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)C(=O)O
InChI
InChI=1S/C18H11ClFN3O2/c19-10-5-6-15-12(7-10)17(11-3-1-2-4-13(11)20)21-8-16-22-14(18(24)25)9-23(15)16/h1-7,9H,8H2,(H,24,25)
InChIKey
OMJNIBWVQQKGJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
CAS: 1849624-82-3
CID: 118609608
Formula: C18H11ClFN3O2
MW: 355.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.7
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass355.0523825
Monoisotopic Mass355.0523825
Topological Polar Surface Area67.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity560
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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