NVP-231 - Moligand™, ≥98% , Inhibitor of ceramide kinase, CAS No.362003-83-6, Inhibitor of ceramide kinase

CAS: 362003-83-6 Cat. No.: N133820 Summenformel: C₂₅H₂₅N₃O₂S Molekulargewicht: 431.55

GRADE & PURITY Moligand™, ≥98%

Synonyms

AS-73454 | N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide | s6501 | SR-01000456438 | N-[2-(benzoylamino)-6-benzothiazolyl]-Tricyclo[3.3.1.13,7]decane-1-carboxamide | N-[2-(Benzoylamino)-6-benzothiazolyl]tricyclo[3.3.1.13,7]decane-1-carboxam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

AS-73454 | N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide | s6501 | SR-01000456438 | N-[2-(benzoylamino)-6-benzothiazolyl]-Tricyclo[3.3.1.13,7]decane-1-carboxamide | N-[2-(Benzoylamino)-6-benzothiazolyl]tricyclo[3.3.1.13,7]decane-1-carboxam

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Ceramide kinase presents an attractive target for drug development because of its involvement in cell growth and inflammation. CerK biology is still poorly understood thus discovery and availability of inhibitors will facilitate research at this area. NVP

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of ceramide kinase

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504762842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762842
• Kanonisches Lächeln: C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)NC(=O)C6=CC=CC=C6
• IUPAC Name: N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
• InChIKey: MVSSJPGNLQPWSW-UHFFFAOYSA-N
• INCHI: 1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)
• Isomere SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)NC(=O)C6=CC=CC=C6
• Alternative CAS-Nummer: 362003-83-6
• MeSH-Eintrag: NVP 231;NVP-231;NVP231
• Molekulargewicht: 431.55
• Reaxy-Rn: 19195719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19195719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzamides N-arylamides Benzoyl derivatives Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - N-arylamide - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Not available

Data sources

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

Zugehörige Ziele (menschlich)

CERK Tchem Ceramide kinase (1 Activities)

Discover Target: CERK

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 43.16, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.16, Max Conc. mM: 5
• Molekulargewicht: 431.600 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 431.167 Da
• Monoisotopic Mass: 431.167 Da
• Topological Polar Surface Area: 99.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 680.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 362003-83-6, the molecular formula is C25H25N3O2S, and the molecular weight is 431.55 g/mol. InChIKey MVSSJPGNLQPWSW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.