ERB-196 - ≥99% , CAS No.550997-55-2

CAS: 550997-55-2 Cat. No.: E648010 Formule: C₁₇H₁₀FNO₂ Poids moléculaire: 279.27 PubChem CID: 6102691

GRADE & PURITY ≥99%

Synonyms

3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | Q27095781 | AKOS030618425 | SCHEMBL3162505 | 1-Naphthalenecarbonitrile, 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy- | 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthalenecarbonitrile | WAY202196 | WAY-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Vue d’ensemble

ERB-196 is a nonsteroidal selective estrogen receptor-β ( ERβ ) agonist.

In Vivo

ERB-196 is a nonsteroidal selective estrogen receptor-β (ERβ) agonist. ERB-196 significantly reduces histopathologic evidence of injury to the gastrointestinal mucosal surface (0.7±0.1 vs. 2.3±0.2 for control; p<0.05). The mucosal mass of 10-cm segments of small bowel mucosa shows better preservation of mucosal mass than control treatment (63±20 [ERB-196] vs. 31±24 [control]), but this difference fails to reach statistical significance (p<0.06). The administration of ERB-196 is highly effective in the prevention of lethality. Consistent with the neutropenic rat model, ERB-196 significantly increases survival when compare with vehicle control . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:ERβ

Specifications

Synonymes

3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | Q27095781 | AKOS030618425 | SCHEMBL3162505 | 1-Naphthalenecarbonitrile, 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy- | 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthalenecarbonitrile | WAY202196 | WAY-

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

ERB-196 is a nonsteroidal selective estrogen receptor-β ( ERβ ) agonist.

Conditions de stockage de stockage

Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: C1=CC(=CC2=C(C=C(C=C21)C3=CC(=C(C=C3)O)F)C#N)O
• IUPAC Name: 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
• InChIKey: NSSOSHDCWCMNDM-UHFFFAOYSA-N
• INCHI: 1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H
• Isomères SMILES: C1=CC(=CC2=C(C=C(C=C21)C3=CC(=C(C=C3)O)F)C#N)O
• CAS alternatif: 550997-55-2
• PubChem CID: 6102691
• Termes d'entrée MeSH: 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile;WAY 202196;WAY-202196;WAY202196
• Poids moléculaire: 279.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Naphthols and derivatives O-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Nitriles Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - 2-naphthol - 2-halophenol - 2-fluorophenol - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene 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

Cibles associées (humaines)

ESR2 Tclin Estrogen receptor beta (1 Activities)

Discover Target: ESR2

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

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

Cibles associées (non humaines)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Ethanol : 16 mg/mL (57.29 mM; Need ultrasonic)
• Poids moléculaire: 279.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 279.07 Da
• Monoisotopic Mass: 279.07 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 420.000
• 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

Foire aux questions

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 550997-55-2, the molecular formula is C17H10FNO2, and the molecular weight is 279.27 g/mol. InChIKey NSSOSHDCWCMNDM-UHFFFAOYSA-N.

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.