Conduritol B Epoxide (Conduritol Epoxide) - ≥98% , CAS No.6090-95-5

CAS: 6090-95-5 Cat. No.: C276443 Peso molecular: 162.14 Número EC: 640-236-7

GRADE & PURITY ≥98%

Synonyms

1,2-anhydro-myo-inositol NIST | SMR001215828 | UNII-NHM754Q310 | AC-36018 | ((1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol | Conduritol B-epoxide | (+/-) Conduritol B epoxide | (1S,2R,3S,4S,5R,6R)-7-Oxa-bicyclo[4.1.0]heptane-2,3,4,5-tetrao

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

1, 2-anhydro-myo-inositol NIST | SMR001215828 | UNII-NHM754Q310 | AC-36018 | ((1R, 2R, 3S, 4S, 5R, 6S)-7-oxabicyclo[4.1.0]heptane-2, 3, 4, 5-tetrol | Conduritol B-epoxide | (+/-) Conduritol B epoxide | (1S, 2R, 3S, 4S, 5R, 6R)-7-Oxa-bicyclo[4.1.0]heptane-2, 3, 4, 5-tetrao

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective, irreversible β-glucosidase inhibitor (IC 50 values are 1 and 100 μM for β-glucosidase and α-glucosidase respectively). Upregulates CD1d expression by THP-1 cells. Raises intracellular glucosylceramide levels. Induces α-synuclein aggregation in

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756804
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756804
• Sonrisas canónicas: C1(C(C(C2C(C1O)O2)O)O)O
• IUPAC Name: (1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
• InChIKey: ZHMWOVGZCINIHW-FTYOSCRSSA-N
• INCHI: 1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1
• Isómeros SMILES: [C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)O2)O)O)O
• Peso molecular: 162.14
• Reaxy-Rn: 15023120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15023120&ln=

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: Cyclitols and derivatives Secondary alcohols Polyols Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxepane - Cyclitol or derivatives - Cyclic alcohol - Secondary alcohol - Oxacycle - Polyol - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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: conduritol 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)

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 100 mM and in DMSO
• Peso molecular: 162.140 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 162.053 Da
• Monoisotopic Mass: 162.053 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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