NS 5806 - ≥99%(HPLC) , CAS No.426834-69-7

CAS: 426834-69-7 Cat. No.: N287207 분자식: C₁₆H₈Br₂F₆N₆O 분자량: 574.07 EC 번호: 684-457-7

GRADE & PURITY ≥99%(HPLC)

Synonyms

CCG-221844 | BCP33045 | NS 5806; NS5806 | DTXSID30469888 | MolPort-023-277-083 | NCGC00371032-03 | NS5806, >=98% (HPLC) | EX-A7052 | NS 5806 | NS5806 | NS-5806 | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dibromo-6-(2H-tetrazol-5-yl)phenyl]urea | MS-30341

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Specifications

동의어

CCG-221844 | BCP33045 | NS 5806; NS5806 | DTXSID30469888 | MolPort-023-277-083 | NCGC00371032-03 | NS5806, >=98% (HPLC) | EX-A7052 | NS 5806 | NS5806 | NS-5806 | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dibromo-6-(2H-tetrazol-5-yl)phenyl]urea | MS-30341

사양 및 순도

≥99%(HPLC)

생화학 및 생리적 메커니즘

KV4.3 channel activator; mediates the transient outward K+current (Ito). Increases IKv4.3peak current amplitude in CHO-K1 cells expressing KV4.3 and KChIP2 (EC50= 5.3μM). Inhibits KV1.4-mediated currents independently of KChIP2. Also slows the decay of KV

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

ACTIVATOR

순수함

≥99%(HPLC)

이름과 식별자

정식 스마일

C1=C(C=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=C(C=C2Br)Br)C3=NNN=N3)C(F)(F)F

IUPAC Name

1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dibromo-6-(2H-tetrazol-5-yl)phenyl]urea

InChIKey

UZWJWROOLOOCPQ-UHFFFAOYSA-N

INCHI

1S/C16H8Br2F6N6O/c17-8-4-10(13-27-29-30-28-13)12(11(18)5-8)26-14(31)25-9-2-6(15(19,20)21)1-7(3-9)16(22,23)24/h1-5H,(H2,25,26,31)(H,27,28,29,30)

이성체 SMILES

C1=C(C=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=C(C=C2Br)Br)C3=NNN=N3)C(F)(F)F

분자량

574.07

Reaxy-Rn

37982961

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37982961&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Trifluoromethylbenzenes N-phenylureas Bromobenzenes Aryl bromides Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Trifluoromethylbenzene - N-phenylurea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Urea - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 57.41, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.7, Max Conc. mM: 50
• 분자량: 574.070 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 573.901 Da
• Monoisotopic Mass: 571.903 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 619.000
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 426834-69-7, the molecular formula is C16H8Br2F6N6O, and the molecular weight is 574.07 g/mol. InChIKey UZWJWROOLOOCPQ-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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.