Vinylcyclohexene dioxide - 10mM in DMSO , CAS No.106-87-6

CAS: 106-87-6 Cat. No.: V420509 Fórmula: C₈H₁₂O₂ Peso molecular: 140.18 Beilstein Registry Number: 106071 Número EC: 203-437-7

GRADE & PURITY 10mM in DMSO

Synonyms

1-Vinyl-3-cyclohexene dioxide | AS-34998 | Q2618250 | NCGC00091429-02 | 4-(Epoxyethyl)-7-oxabicyclo[4.1.0]heptane | 7-Oxa-3-oxiranylbicyclo(4.1.0)heptane | CCRIS 278 | UNII-596C064IG4 | 3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane # | 4-(Epoxyethyl)-7-oxabic

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Vinylcyclohexene dioxide (VCD) is used to study toxicity as an ovotoxin,and it's also used to understand its mechanisms of toxicity towards ovarian follicles and effects on epithelial differentiation.

Specifications

Sinónimos

1-Vinyl-3-cyclohexene dioxide | AS-34998 | Q2618250 | NCGC00091429-02 | 4-(Epoxyethyl)-7-oxabicyclo[4.1.0]heptane | 7-Oxa-3-oxiranylbicyclo(4.1.0)heptane | CCRIS 278 | UNII-596C064IG4 | 3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane # | 4-(Epoxyethyl)-7-oxabic

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528769638

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769638

Sonrisas canónicas

C1CC2C(O2)CC1C3CO3

IUPAC Name

3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

InChIKey

OECTYKWYRCHAKR-UHFFFAOYSA-N

INCHI

1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2

Isómeros SMILES

C1CC2C(O2)CC1C3CO3

WGK Alemania

1

RTECS

RN8640000

Número ONU

2810

Grupo de embalaje

III

Peso molecular

140.18

Beilstein

106071

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxepanes
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxepane - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
• External Descriptors: epoxide

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

Objetivos asociados (humanos)

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.477-1.479
• Punto de inflamación (°F): 224.6 °F
• Punto de inflamación (°C): 107°C
• Punto de ebullición (°C): 230-232°C
• Peso molecular: 140.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.084 Da
• Monoisotopic Mass: 140.084 Da
• Topological Polar Surface Area: 25.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1