1-Naphthohydroxamsäure - ≥98% , CAS No.6953-61-3

CAS: 6953-61-3 Cat. No.: N159149 Summenformel: C₁₁H₉NO₂ Molekulargewicht: 187.2 EG-Nummer: 677-593-3

GRADE & PURITY ≥98%

Synonyms

alpha-Naphthohydroxamic acid | .alpha.-Naphthohydroxamic acid | KUC110101N | HDAC Inhibitor XIX, Compound 2 - CAS 6953-61-3 | N-Hydroxy-1-naphthamide | HY-130538 | BRN 2094470 | 1-Naphthohydroxamic Acid, >=98% (HPLC) | AS-60201 | JRZGPWOEHDOVMC-UHFFFAOYSA

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

alpha-Naphthohydroxamic acid | .alpha.-Naphthohydroxamic acid | KUC110101N | HDAC Inhibitor XIX, Compound 2 - CAS 6953-61-3 | N-Hydroxy-1-naphthamide | HY-130538 | BRN 2094470 | 1-Naphthohydroxamic Acid, >=98% (HPLC) | AS-60201 | JRZGPWOEHDOVMC-UHFFFAOYSA

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

1-Naphthohydroxamsäure ist ein zellpermeabler, potenter und selektiver Inhibitor der Histon-Deacetylase 8 (HDAC8). 1-Naphthohydroxamsäure hemmt selektiv HDAC8 (IC50 = 14 μM) gegenüber Klasse I HDAC1 und Klasse II HDAC6 (IC50 >100 μM). Die Behandlung von Z

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Aktionsart

INHIBITOR

Hinweis

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Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504753119
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753119
• Kanonisches Lächeln: C1=CC=C2C(=C1)C=CC=C2C(=O)NO
• IUPAC Name: N-hydroxynaphthalene-1-carboxamide
• InChIKey: JRZGPWOEHDOVMC-UHFFFAOYSA-N
• INCHI: 1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
• Isomere SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NO
• WGK Deutschland: 3
• RTECS: QJ1894500
• Molekulargewicht: 187.2
• Reaxy-Rn: 2094470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094470&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Hydroxamic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalenecarboxamide - Hydroxamic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
• 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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

Zugehörige Ziele (nicht menschlich)

Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO: ≥5 mg/mL
• Molekulargewicht: 187.190 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.063 Da
• Monoisotopic Mass: 187.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 217.000
• 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