Isosorbida - ≥98%(GC) , CAS No.652-67-5

CAS: 652-67-5 Cat. No.: I157515 Fórmula: C₆H₁₀O₄ Peso molecular: 146.14 Beilstein Registry Number: 80510 Número EC: 211-492-3

GRADE & PURITY ≥98%(GC)

Synonyms

1,4:3,6-Dianhydro-D-sorbitol | 1,4:3,6-Dianhydrosorbitol | BIDD:GT0695 | NSC40725 | NSC-40725 | D-Glucitol, 1,4:3,6-dianhydro- | EN300-170910 | D00347 | Dianhydro-D-glucitol | 1,4-Dianhydrosorbitol | Isosorbida (INN-Spanish) | Tox21_111861 | Glucitol, 1,4

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1,4:3,6-Dianhydro-D-sorbitol | 1,4:3,6-Dianhydrosorbitol | BIDD:GT0695 | NSC40725 | NSC-40725 | D-Glucitol, 1,4:3,6-dianhydro- | EN300-170910 | D00347 | Dianhydro-D-glucitol | 1,4-Dianhydrosorbitol | Isosorbida (INN-Spanish) | Tox21_111861 | Glucitol, 1,4

Especificaciones y pureza

≥98%(GC)

Mecanismos bioquímicos y fisiológicos

Agente diurético osmótico. Donante de óxido nítrico. Muestra efectos vasodilatadores, antihipertensivos y diuréticos in vivo. Activo por vía oral.

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488181710

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181710

Sonrisas canónicas

C1C(C2C(O1)C(CO2)O)O

IUPAC Name

(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol

InChIKey

KLDXJTOLSGUMSJ-JGWLITMVSA-N

INCHI

1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1

Isómeros SMILES

C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O

WGK Alemania

2

RTECS

LZ4380000

Peso molecular

146.14

Beilstein

80510

Reaxy-Rn

80508

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80508&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furofurans
      • Subclass Isosorbides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furofurans
• Subclass: Isosorbides
• Intermediate Tree Nodes: Not available
• Direct Parent: Isosorbides
• Alternative Parents: Tetrahydrofurans Secondary alcohols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Isosorbide - Tetrahydrofuran - Secondary alcohol - Oxacycle - Ether - 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 isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.
• External Descriptors: Not available

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)

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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 alcohols, water and ketones.
• Sensibilidad: Moisture sensitive
• Rotación específica [α]: 45° (C=5,H2O)
• Punto de ebullición (°C): 175°C/2mmHg
• Punto de fusión (°C): 58-63℃
• Peso molecular: 146.140 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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