NS 11021 - Moligand™, ≥95% , Activator of K Ca1.1, CAS No.956014-19-0, Activator of K Ca1.1

CAS: 956014-19-0 Cat. No.: N287933 Summenformel: C₁₆H₉BrF₆N₆S Molekulargewicht: 511.24 EG-Nummer: 804-729-2

GRADE & PURITY Moligand™, ≥95%

Synonyms

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]thiourea. | NS 11021 | AC-36032 | BCP16316 | HY-13103 | EX-A744 | 3,3'-Diindolylmethane (DIM) | SCHEMBL19212168 | OGAKLTJNUQRZJU-UHFFFAOYSA- | DIFLUNISAL (MART.) | 1-(3,5-Bis-trifluo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]thiourea. | NS 11021 | AC-36032 | BCP16316 | HY-13103 | EX-A744 | 3,3'-Diindolylmethane (DIM) | SCHEMBL19212168 | OGAKLTJNUQRZJU-UHFFFAOYSA- | DIFLUNISAL (MART.) | 1-(3,5-Bis-trifluo

Spezifikationen & Reinheit

Moligand™, ≥95%

Biochemische und physiologische Mechanismen

Activator of large-conductance Ca2+-activated potassium channels (BKCa, KCa1.1). Exhibits no modulatory effect on a variety of K+(KV), Na+and Ca2+currents at concentrations <10μM. Alters gating kinetics, but does not affect single channel conductance. Sho

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

ACTIVATOR

Mechanismus der Wirkung

Activator of K Ca1.1

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528766309
• Kanonisches Lächeln: C1=CC(=C(C=C1Br)C2=NNN=N2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
• IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]thiourea
• InChIKey: MDKAFDIKYQMOMF-UHFFFAOYSA-N
• INCHI: 1S/C16H9BrF6N6S/c17-9-1-2-12(11(6-9)13-26-28-29-27-13)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)
• Isomere SMILES: C1=CC(=C(C=C1Br)C2=NNN=N2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
• Molekulargewicht: 511.24
• Reaxy-Rn: 31540432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31540432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Trifluoromethylbenzenes N-phenylthioureas Bromobenzenes Aryl bromides Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Trifluoromethylbenzene - N-phenylthiourea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiourea - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organosulfur compound - Alkyl fluoride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
• 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)

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (0 Activities)

Discover Target: KCNMA1

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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:ethanol, Max Conc. mg/mL: 51.12, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 51.12, Max Conc. mM: 100
• Molekulargewicht: 511.200 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 509.97 Da
• Monoisotopic Mass: 509.97 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 586.000
• 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