Pyriproxifen - analytical standard , CAS No.95737-68-1

CAS: 95737-68-1 Cat. No.: P114478 Molecular Weight: 321.37 EC Number: 429-800-1

GRADE & PURITY Analytical standard

Synonyms

Pyriproxyfen 100 microg/mL in Acetonitrile | JUVENTOX | P2612 | KS-5363 | NCGC00163945-02 | VECTRA FELIS COMPONENT PYRIPROXYFEN | D08455 | Tox21_300716 | UNII-3Q9VOR705O | 2-(1-(4-phenoxyphenoxy)propan-2-yloxy)pyridine | HY-B2031 | NCGC00163945-04 | PYRIP

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Pyriproxyfen 100 microg/mL in Acetonitrile | JUVENTOX | P2612 | KS-5363 | NCGC00163945-02 | VECTRA FELIS COMPONENT PYRIPROXYFEN | D08455 | Tox21_300716 | UNII-3Q9VOR705O | 2-(1-(4-phenoxyphenoxy)propan-2-yloxy)pyridine | HY-B2031 | NCGC00163945-04 | PYRIP

Specifications & Purity

analytical standard

Biochemical and Physiological Mechanisms

Insect juvenile hormone mimetic. Larvicidal agent. Inhibits maturation in a broad spectrum of insect species and sterilizes adult females. Orally active.

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Names and Identifiers

• Canonical Smiles: CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3
• IUPAC Name: 2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
• InChIKey: NHDHVHZZCFYRSB-UHFFFAOYSA-N
• INCHI: 1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
• Isomeric SMILES: CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3
• WGK Germany: 2
• RTECS: UT5804000
• UN Number: 3077
• Molecular Weight: 321.37
• Reaxy-Rn: 6932868
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6932868&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Pesticides

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

Associated Targets(non-human)

Bemisia tabaci (599 Activities)

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

Spodoptera litura (1708 Activities)

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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

Diaphorina citri (62 Activities)

Explore this target

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

Trialeurodes vaporariorum (2 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 45-47°C
• Molecular Weight: 321.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 321.136 Da
• Monoisotopic Mass: 321.136 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Cong Zhang, Bin Wan, Meng-Ru Jin, Xi Wang, Yu-Jing Wei, Ling Zhong, Bin Xia.  (2023)  Inhibition of ecdysone receptor (DcEcR) and ultraspiracle (DcUSP) expression in Diaphorina citri increased susceptibility to pesticides.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:37532332] [10.1016/j.pestbp.2023.105518]