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Cariporide - 10mM in DMSO, high purity , CAS No.159138-80-4
Selective NHE1 inhibitor; cardioprotective and antitumor
Basic Description
Synonyms
N-carbamimidoyl-3-methanesulfonyl-4-(propan-2-yl)benzamide | AC-14535 | 3-methylsulfonyl-4-i-propylbenzoylguanidine | NCGC00247951-01 | AC-31727 | BENZAMIDE, N-(DIAMINOMETHYLENE)-4-(1-METHYLETHYL)-3-(METHYLSULFONYL)- | AKOS015854493 | DS-11823 | s5814 | B
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Selective Na+/H+exchanger isoform 1 (NHE1) inhibitor (IC50values are 0.05, 3 and 1000μM for NHE1, NHE3 and NHE2 respectively). Attenuates ischemia-induced cardiomyocyte apoptosisin vitro. Reduces cardiac arrhythmiain vivo. Also promotes apoptosis in cance
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic monoterpenoids
Alternative Parents
Monocyclic monoterpenoids Phenylpropanes Cumenes Benzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Acylguanidines Sulfones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Benzenesulfonyl group - Benzoic acid or derivatives - Cumene - Phenylpropane - Benzoyl - Acylguanidine - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Guanidine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide
INCHI
InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
InChIKey
IWXNYAIICFKCTM-UHFFFAOYSA-N
Smiles
CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C
Isomeric SMILES
CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C
Molecular Weight
283.35
Reaxy-Rn
7713674
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7713674&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
283.350 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
283.099 Da
Monoisotopic Mass
283.099 Da
Topological Polar Surface Area
124.000 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
461.000
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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