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

CAS: 106-87-6 Cat. No.: V420509 Formule: C₈H₁₂O₂ Poids moléculaire: 140.18 Beilstein Registry Number: 106071 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528769638

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1CC2C(O2)CC1C3CO3

WGK Allemagne

1

RTECS

RN8640000

Numéro ONU

2810

Groupe d'emballage

III

Poids moléculaire

140.18

Beilstein

106071

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 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

• Indice de réfraction: 1.477-1.479
• Point d'éclair (°F): 224.6 °F
• Point d'éclair (°C): 107°C
• Point d'ébullition (°C): 230-232°C
• Poids moléculaire: 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