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NVP-231 - 10mM in DMSO, high purity , CAS No.362003-83-6(DMSO), Inhibitor of ceramide kinase

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 362003-83-6(DMSO)
Molecular Weight: 431.55
MDL number: MFCD01988824
PubChem CID: 4096211

In stock

Item Number

N580458

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SKU	Size	Availability	Price	Qty
N580458-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$194.90

Potent, selective and reversible CerK inhibitor

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Compound libraries (12325)

Basic Description

Synonyms	NVP-231 \| 362003-83-6 \| NVP 231 \| NVP231 \| N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide \| adamantane-1-carboxylic acid (2-benzoylamino-benzothiazol-6-yl)amide \| N-[2-(Benzoylamino)-6-benzothiazolyl]tricyclo[3.3.1.13,7]decane-1-carboxamide \| N -[2-(Benz
Specifications & Purity	Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms	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 Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of ceramide kinase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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)

CERK Tchem Ceramide kinase (1 Activities)

Discover Target: CERK

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

Names and Identifiers

IUPAC Name	N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
INCHI	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)
InChIKey	MVSSJPGNLQPWSW-UHFFFAOYSA-N
Smiles	C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)NC(=O)C6=CC=CC=C6
Isomeric SMILES	C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)NC(=O)C6=CC=CC=C6
Molecular Weight	431.55
Reaxy-Rn	19195719
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19195719&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 43.16, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.16, Max Conc. mM: 5
Molecular Weight	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 Å²
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

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