NVP-231 - Moligand™, 10mM in DMSO , Inhibitor of ceramide kinase, CAS No.362003-83-6, Inhibitor of ceramide kinase

CAS: 362003-83-6 Cat. No.: N580458 분자식: C₂₅H₂₅N₃O₂S 분자량: 431.55

GRADE & PURITY Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

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

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of ceramide kinase

이름과 식별자

정식 스마일

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)

이성체 SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)NC(=O)C6=CC=CC=C6

대체 CAS

362003-83-6

MeSH 용어

NVP 231;NVP-231;NVP231

분자량

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
    • 분류 Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

CERK Tchem Ceramide kinase (1 Activities)

Discover Target: CERK

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

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 43.16, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.16, Max Conc. mM: 5
• 분자량: 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

자주 묻는 질문

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 ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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.