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

CAS: 106-87-6 Cat. No.: V420509 Formula: C₈H₁₂O₂ Molecular Weight: 140.18 Beilstein Registry Number: 106071 EC Number: 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

Overview

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

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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528769638

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

C1CC2C(O2)CC1C3CO3

WGK Germany

1

RTECS

RN8640000

UN Number

2810

Packing Group

III

Molecular Weight

140.18

Beilstein

106071

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• x_refractive_index: 1.477-1.479
• x_flash_point_drop_fahrenheit: 224.6 °F
• x_flash_point_drop_centigrade: 107°C
• x_boil_point_char: 230-232°C
• Molecular Weight: 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