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Basmisanil

CAT: 0013-GTR19163564-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163564-01Size:100 mg
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Description
A novel selective negative allosteric modulator of the GABAA receptor α5-subtype, which is under development for the treatment of cognitive impairment associated with Down syndrome.Schizophrenia Phase 2 Clinical (In Vitro) :Basmisanil (0.1 nM-100 μM) has high affinity for bounding to recombinant human GABAA-α5 receptors with a Ki value of 5 nM and more than 90-fold selectivity versus α1 (Ki = 1031 nM), α2 (Ki = 458 nM), and α3 (Ki = 510 nM) subunit-containing receptors.Basmisanil (1 nM-1 μM) shows a highly selective inhibition of GABAA-α5 with a IC50 value of 8 nM.Basmisanil (1 μM) inhibits GABA-induced currents at GABAA-α5 yet had little or no effect at the other receptor subtypes. (In Vivo) :Basmisanil (3-100 mg/kg, p.o.) occupies GABAA-α receptor in dose-dependent in rat brain.Basmisanil (3-600 mg/kg p.o.) improves cognition in rats and non.human primates and not show anxiogenic or proconvulsant effects.
CAS Number
1159600-41-5
Product Name Alternative
RG-1662 | RO5-186582
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 32 mg/mL
Smiles
O=C (N1CCS (CC1) (=O) =O) C2=CC=C (OCC3=C (C) ON=C3C4=CC=C (F) C=C4) N=C2
Molecular Formula
C21H20FN3O5S
Molecular Weight
445.464
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Methanone, (1,1-dioxido-4-thiomorpholinyl) [6-[[3- (4-fluorophenyl) -5-methyl-4-isoxazolyl]methoxy]-3-pyridinyl]-

Chemical Information

Basmisanil

Basmisanil has been used in trials studying the treatment and basic science of Down Syndrome.

CAS Number1159600-41-5
PubChem CID57336276
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]methanone
Molecular FormulaC21H20FN3O5S
Molecular Weight445.5
XLogP1.9
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)F)COC3=NC=C(C=C3)C(=O)N4CCS(=O)(=O)CC4
InChI
InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3
InChIKey
VCGRFBXVSFAGGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Basmisanil
CAS: 1159600-41-5
CID: 57336276
Formula: C21H20FN3O5S
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass445.11077008
Monoisotopic Mass445.11077008
Topological Polar Surface Area111 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
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

Alternative Products

CatalogName
MBS3600552-01Basmisanil
A21321-25Basmisanil 25mg
A21321-5Basmisanil 5mg
A21321-500Basmisanil 500mg
A21321-2Basmisanil 2mg
MBS131487Basmisanil (RG1662)
A21321-100Basmisanil 100mg
A21321-50Basmisanil 50mg
A21321-10Basmisanil 10mg
A21321-10mM-DBasmisanil 10mM * 1mL in DMSO

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