Tirasemtiv (CK-2017357) - Moligand™, 10mM in DMSO , CAS No.1005491-05-3

CAS: 1005491-05-3 Cat. No.: T420284 Molecular Weight: 230.27 EC Number: 813-919-4 PubChem CID: 23729157
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
1-(1-Ethylpropyl)-6-ethynyl-1,3-dihydro-2H-imidazo(4,5-b)pyrazin-2-one | AC-35962 | RSQGZEAXODVTOL-UHFFFAOYSA-N | 5GD84Y125G | Tirasemtiv [USAN:INN] | BCP27991 | 1-(1-Ethylpropyl)-6-ethynyl-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one | AKOS027250724 | MFCD
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
Size
Status
Price
Qty
1ml
T420284-1ml
2

$81.90

$95.90
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Overview

Information

Tirasemtiv (CK-2017357, CK-357) is a directfast skeletal muscle troponinactivator that sensitizes the sarcomere to calcium.

Specifications

Synonyms
1-(1-Ethylpropyl)-6-ethynyl-1, 3-dihydro-2H-imidazo(4, 5-b)pyrazin-2-one | AC-35962 | RSQGZEAXODVTOL-UHFFFAOYSA-N | 5GD84Y125G | Tirasemtiv [USAN:INN] | BCP27991 | 1-(1-Ethylpropyl)-6-ethynyl-1, 3-dihydro-2H-imidazo[4, 5-b]pyrazin-2-one | AKOS027250724 | MFCD
Specifications & Purity
Moligand™, 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Product Properties
ALogP1.4
Names and Identifiers
Pubchem Sid528767509
Canonical SmilesCCC(CC)N1C2=NC(=CN=C2NC1=O)C#C
IUPAC Name5-ethynyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
InChIKeyRSQGZEAXODVTOL-UHFFFAOYSA-N
INCHI1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)
Isomeric SMILES CCC(CC)N1C2=NC(=CN=C2NC1=O)C#C
Alternate CAS 1005491-05-3
PubChem CID 23729157
MeSH Entry Terms CK-2017357;tirasemtiv
Molecular Weight 230.27

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassImidazopyrazines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentImidazopyrazines
Alternative Parents Pyrazines  N-substituted imidazoles  Heteroaromatic compounds  Ureas  Azacyclic compounds  Acetylides  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Imidazopyrazine - N-substituted imidazole - Pyrazine - Azole - Imidazole - Heteroaromatic compound - Urea - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as imidazopyrazines. These are organic heteropolycyclic compounds containing a pyrazine ring fused to an imidazole ring. These also include hydrogenated derivatives of the imidazopyrazine moiety. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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 Weight230.270 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass230.117 Da
Monoisotopic Mass230.117 Da
Topological Polar Surface Area58.100 Ų
Heavy Atom Count17
Formal Charge0
Complexity344.000
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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