Irampanel , Sodium channel alpha subunit blocker, CAS No.206260-33-5, Sodium channel alpha subunit blocker

CAS: 206260-33-5 Cat. No.: I670995 Molecular Weight: 309.4 PubChem CID: 3038472
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Synonyms
Irampanel | ETHANAMINE,N,N-DIMETHYL-2-[2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PHENOXY]- | IRAMPANEL [WHO-DD] | BIIR-561 Cl | AKOS040748592 | BIIR 561 | DTXSID30174647 | UNII-R2GZD7LMYX | Q19597602 | Irampanel [INN] | SCHEMBL678128 | 5-(o-(2-(Dimethylamino)ethox
Storage
Room temperature
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Size
Status
Price
Qty
1mg
I670995-1mg
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$999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

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Literature proof

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

Specifications

Synonyms
Irampanel | ETHANAMINE, N, N-DIMETHYL-2-[2-(3-PHENYL-1, 2, 4-OXADIAZOL-5-YL)PHENOXY]- | IRAMPANEL [WHO-DD] | BIIR-561 Cl | AKOS040748592 | BIIR 561 | DTXSID30174647 | UNII-R2GZD7LMYX | Q19597602 | Irampanel [INN] | SCHEMBL678128 | 5-(o-(2-(Dimethylamino)ethox
Storage
Room temperature
Action Type
ANTAGONIST
Mechanism of action
Sodium channel alpha subunit blocker
Product Properties
ALogP3.5
Names and Identifiers
Canonical SmilesCN(C)CCOC1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3
IUPAC NameN,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
InChIKeyQZULPCPLWGCGSL-UHFFFAOYSA-N
INCHI1S/C18H19N3O2/c1-21(2)12-13-22-16-11-7-6-10-15(16)18-19-17(20-23-18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
Isomeric SMILES CN(C)CCOC1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3
PubChem CID 3038472
Molecular Weight 309.4

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassOxadiazoles
Intermediate Tree Nodes 1,2,4-oxadiazoles
Direct ParentPhenyloxadiazoles
Alternative Parents Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Heteroaromatic compounds  Trialkylamines  Oxacyclic compounds  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,2,4-oxadiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
Molecular Weight309.400 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass309.148 Da
Monoisotopic Mass309.148 Da
Topological Polar Surface Area51.400 Ų
Heavy Atom Count23
Formal Charge0
Complexity347.000
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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