Afizagabar - ≥98% , CAS No.1398496-82-6

CAS: 1398496-82-6 Cat. No.: A650714 Molecular Weight: 365.38 PubChem CID: 136209703
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AT33292 | s44819 | S-44819 | 1398496-82-6 | GLXC-25527 | SCHEMBL12095327 | starbld0002583 | Afizagabar | 5-(4-Fluoro-1-benzothiophen-2-yl)-8-methyl-1,9-dihydro- 2H-(1,3)oxazolo(4,5-H)(2,3)benzodiazepin-2-one | 5-(4-Fluorobenzo[b]thiophen-2-yl)-8-methyl-1,
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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5mg
A650714-5mg
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10mg
A650714-10mg
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25mg
A650714-25mg
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50mg
A650714-50mg
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100mg
A650714-100mg
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Afizagabar (S44819) is a first-in-class, competitive, and selective antagonist at the GABA-binding site of the α5-GABAAR , with an IC 50 of 585 nM for α5β2γ2 and a K i of 66 nM for α5β3γ2. Afizagabar enhances hippocampal synaptic plasticity and exhibits pro-cognitive efficacy.

In Vitro

Afizagabar (S44819) is a competitive α5-GABAAR antagonist (K b =221 nM). Afizagabar selectively inhibits extrasynaptic α5-GABAARs of mouse CA1 pyramidal neurons. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Afizagabar (1 and 3 mg/kg; i.p.) significantly diminishes the marked increase in total errors induced by Scopolamine . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Sprague Dawley (SPRD) rats (In the eight-arm radial maze) Dosage: 1 and 3 mg/kg Administration: I.p. Result: Significantly diminished the marked increase in total errors induced by Scopolamine.

Form:Solid

Specifications

Synonyms
AT33292 | s44819 | S-44819 | 1398496-82-6 | GLXC-25527 | SCHEMBL12095327 | starbld0002583 | Afizagabar | 5-(4-Fluoro-1-benzothiophen-2-yl)-8-methyl-1, 9-dihydro- 2H-(1, 3)oxazolo(4, 5-H)(2, 3)benzodiazepin-2-one | 5-(4-Fluorobenzo[b]thiophen-2-yl)-8-methyl-1,
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Afizagabar (S44819) is a first-in-class, competitive, and selective antagonist at the GABA-binding site of the α5-GABAAR , with an IC 50 of 585 nM for α5β2γ2 and a K i of 66 nM for α5β3γ2. Afizagabar enhances hippocampal synaptic plasticity and exhibits p
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=NN=C(C2=CC3=C(C=C2C1)NC(=O)O3)C4=CC5=C(C=CC=C5S4)F
IUPAC Name5-(4-fluoro-1-benzothiophen-2-yl)-8-methyl-1,9-dihydro-[1,3]oxazolo[4,5-h][2,3]benzodiazepin-2-one
InChIKeyWNUWGRVHGICCLS-UHFFFAOYSA-N
INCHI1S/C19H12FN3O2S/c1-9-5-10-6-14-15(25-19(24)21-14)7-11(10)18(23-22-9)17-8-12-13(20)3-2-4-16(12)26-17/h2-4,6-8H,5H2,1H3,(H,21,24)
Isomeric SMILES CC1=NN=C(C2=CC3=C(C=C2C1)NC(=O)O3)C4=CC5=C(C=CC=C5S4)F
Alternate CAS 1398496-82-6
PubChem CID 136209703
MeSH Entry Terms S44819
Molecular Weight 365.38

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzodiazepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzodiazepines
Alternative Parents Benzoxazolones  1-benzothiophenes  2,3,5-trisubstituted thiophenes  Benzenoids  Aryl fluorides  Oxazoles  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzodiazepine - Benzoxazolone - Benzothiophene - 1-benzothiophene - Benzoxazole - 2,3,5-trisubstituted thiophene - Aryl fluoride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Thiophene - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GABRA5 Tclin Gamma-aminobutyric acid receptor subunit alpha-5 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 6.25 mg/mL (17.11 mM; Need ultrasonic)
Molecular Weight365.400 g/mol
XLogP33.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass365.063 Da
Monoisotopic Mass365.063 Da
Topological Polar Surface Area91.300 Ų
Heavy Atom Count26
Formal Charge0
Complexity669.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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