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azimilide , CAS No.149908-53-2, Channel blocker of K v7.1

COA

Grade & Purity:

Moligand™

Cas Number: 149908-53-2
PubChem CID: 9571004

In stock

Item Number

A607904

Grouped product items
SKU	Size	Availability	Price	Qty
A607904-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$800.90
A607904-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,400.90

View related series

Ion channel (2197) Kv7.1 Channel blocker (7)

Basic Description

Synonyms	(E)-1-(((5-(4-Chlorophenyl)furan-2-yl)methylene)amino)-3-(4-(4-methylpiperazin-1-yl)butyl)imidazolidine-2,4-dione \| 1294552-65-0 \| 1-((5-(P-CHLOROPHENYL)FURFURYLIDENE)AMINO)-3-(4-(4-METHYL-1-PIPERAZINYL)BUTYL)HYDANTOIN \| AZIMILIDE [WHO-DD] \| 2,4-Imidazoli
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	CHANNEL BLOCKER
Mechanism of action	Channel blocker of K v7.1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolidines
    - Subclass Imidazolidines
      - Level5 Imidazolidinones
        Level6 Imidazolidinediones
        Level7 Hydantoins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolidines
Subclass	Imidazolidines
Intermediate Tree Nodes	Imidazolidinones - Imidazolidinediones
Direct Parent	Hydantoins
Alternative Parents	Alpha amino acids and derivatives N-methylpiperazines Chlorobenzenes Semicarbazones Aryl chlorides Heteroaromatic compounds Furans Dicarboximides Trialkylamines Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Hydantoin - Alpha-amino acid or derivatives - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Semicarbazone - Benzenoid - Heteroaromatic compound - Semicarbazide - Dicarboximide - Furan - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
External Descriptors	imidazolidine-2,4-dione
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KCNQ1 Tclin Potassium voltage-gated channel subfamily KQT member 1 (1 Activities)

Discover Target: KCNQ1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (7 Activities)

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
INCHI	InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+
InChIKey	MREBEPTUUMTTIA-PCLIKHOPSA-N
Smiles	CN1CCN(CC1)CCCCN1C(=O)CN(C1=O)/N=C/c1ccc(o1)c1ccc(cc1)Cl
Isomeric SMILES	CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl
PubChem CID	9571004

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	458.000 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	457.188 Da
Monoisotopic Mass	457.188 Da
Topological Polar Surface Area	72.600 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	677.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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