NS8593 - Moligand™ , Gating inhibitor of K Ca2.1;Gating inhibitor of K Ca2.2;Gating inhibitor of K Ca2.3;Channel blocker of TRPM7, CAS No.875755-39-8, Gating inhibitor of K Ca2.1;Gating inhibitor of K Ca2.2;Gating inhibitor of K Ca2.3;Channel blocker of TRPM7

CAS: 875755-39-8 Cat. No.: N612407 PubChem CID: 11587013

GRADE & PURITY Moligand™

Synonyms

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine. | Q27088072 | NS 8593 | N-((1R)-1,2,3,4-Tetrahydro-1-naphthalenyl)-1H-benzimidazol-2-amine | (R)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | NS8593 | NS-8593 | XZI

Storage

Room temperature

Specifications

Synonyms

N-[(1R)-1, 2, 3, 4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine. | Q27088072 | NS 8593 | N-((1R)-1, 2, 3, 4-Tetrahydro-1-naphthalenyl)-1H-benzimidazol-2-amine | (R)-N-(1, 2, 3, 4-tetrahydronaphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | NS8593 | NS-8593 | XZI

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

CHANNEL BLOCKER, GATING INHIBITOR

Mechanism of action

Gating inhibitor of K Ca2.1;Gating inhibitor of K Ca2.2;Gating inhibitor of K Ca2.3;Channel blocker of TRPM7

Names and Identifiers

• Canonical Smiles: c1ccc2c(c1)[C@@H](CCC2)Nc1nc2c([nH]1)cccc2
• IUPAC Name: N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-1,3-benzodiazol-2-amine
• InChIKey: XZIZUQSOFMLIIR-CQSZACIVSA-N
• INCHI: 1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
• Isomeric SMILES: C1C[C@H](C2=CC=CC=C2C1)NC3=NC4=CC=CC=C4N3
• PubChem CID: 11587013

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Benzimidazoles Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetralin - Benzimidazole - Aminoimidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Associated Targets(Human)

TRPM7 Tchem Transient receptor potential cation channel subfamily M member 7 (1 Activities)

Discover Target: TRPM7

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

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (1 Activities)

Discover Target: KCNN1

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

KCNN3 Tchem Small conductance calcium-activated potassium channel protein 3 (4 Activities)

Discover Target: KCNN3

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

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (1 Activities)

Discover Target: KCNN2

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

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRPM7 Tchem Transient receptor potential cation channel subfamily M member 7 (19 Activities)

Discover Target: TRPM7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMAD2 Tbio Mothers against decapentaplegic homolog 2 (9 Activities)

Discover Target: SMAD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Kcnn3 Small conductance calcium-activated potassium channel protein 3 (210 Activities)

Discover Target: Kcnn3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 263.340 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.142 Da
• Monoisotopic Mass: 263.142 Da
• Topological Polar Surface Area: 40.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 332.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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