4-Heptyloxyphenol - Moligand™, ≥98% , CAS No.13037-86-0

CAS: 13037-86-0 Cat. No.: H157288 Molecular Weight: 208.3 Beilstein Registry Number: 6(3)4391 EC Number: 627-297-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

SCHEMBL1401769 | BRN 1871129 | BDBM50341558 | p-(Heptyloxy)phenol | AKOS003382510 | 4-(Heptyloxy)benzolol | DTXSID5022483 | 4-(HEPTYLOXY)PHENOL | FT-0619173 | Phenol, 4-(heptyloxy)- | A-45594 | Hydroquinone Monoheptyl Ether | AC45594 | BIDD:ER0034 | J27.3

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:

4-(Heptyloxy)phenol is an steroidogenic factor-1 (SF-1) agonist. The effect of 4-(heptyloxy)phenol on the secretion of estradiol and oxytocin (OT) from granulosa cells was studied.

Product Application:

4-(Heptyloxy)phenol was used to treat bovine luteal cells.

Specifications

Synonyms

SCHEMBL1401769 | BRN 1871129 | BDBM50341558 | p-(Heptyloxy)phenol | AKOS003382510 | 4-(Heptyloxy)benzolol | DTXSID5022483 | 4-(HEPTYLOXY)PHENOL | FT-0619173 | Phenol, 4-(heptyloxy)- | A-45594 | Hydroquinone Monoheptyl Ether | AC45594 | BIDD:ER0034 | J27.3

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Selective inverse agonist at the orphan nuclear receptor steroidogenic factor-1 (SF-1) (IC50= 50 - 100 nM). Displays no activity at estrogen, LRH-1, ROR, ERR or Nurr receptors. Inhibits SFRE-mediated transcription.

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182973
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182973
• Canonical Smiles: CCCCCCCOC1=CC=C(C=C1)O
• IUPAC Name: 4-heptoxyphenol
• InChIKey: HZBABTUFXQLADL-UHFFFAOYSA-N
• INCHI: 1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
• Isomeric SMILES: CCCCCCCOC1=CC=C(C=C1)O
• WGK Germany: 3
• RTECS: SL4860000
• Molecular Weight: 208.3
• Beilstein: 6(3)4391
• Reaxy-Rn: 1871129
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1871129&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
• External Descriptors: aromatic ether

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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 20.83, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 20.83, Max Conc. mM: 100
• Melt Point(°C): 60 °C
• Molecular Weight: 208.300 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 208.146 Da
• Monoisotopic Mass: 208.146 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 139.000
• 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