4μ8C - ≥98%(HPLC) , CAS No.14003-96-4

CAS: 14003-96-4 Cat. No.: C167186 Peso molecular: 204.18 Número EC: 808-752-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

IRE1 Inhibitor III | BB 0256929 | HMS3653K06 | 4?8C | F2158-2222 | 8-formyl-7-hydroxy-4-methylcoumarin | IRE1 Inhibitor III | J-007348 | SCHEMBL14398970 | DTXSID50513352 | HMS3865J03 | STK504078 | BCP21011 | NSC 622141 | 4m8C | AKOS000265727 | BDBM5001379

Storage

Protegido de la luz,Almacenar a -20°C,Cargado con argón

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

IRE1 Inhibitor III | BB 0256929 | HMS3653K06 | 4?8C | F2158-2222 | 8-formyl-7-hydroxy-4-methylcoumarin | IRE1 Inhibitor III | J-007348 | SCHEMBL14398970 | DTXSID50513352 | HMS3865J03 | STK504078 | BCP21011 | NSC 622141 | 4m8C | AKOS000265727 | BDBM5001379

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Bloquea el acceso de sustratos al sitio activo de IRE1α. Inhibe la degradación regulada dependiente de IRE1 (RIDD) y la especiación no convencional del ARNm Xbp1 en respuesta al estrés del retículo endopásmico (RE), pero no tiene efecto sobre la actividad

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C, Cargado con argón

Enviado en

Hielera + almohadillas de hielo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. No obstante, 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%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504767284
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767284
• Sonrisas canónicas: CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
• IUPAC Name: 7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
• InChIKey: RTHHSXOVIJWFQP-UHFFFAOYSA-N
• INCHI: 1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3
• Isómeros SMILES: CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
• WGK Alemania: 3
• Peso molecular: 204.18
• Reaxy-Rn: 174380
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=174380&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxycoumarins
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Aryl-aldehydes 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Aryl-aldehyde - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aldehyde - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
• 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)

ERN1 Tchem Serine/threonine-protein kinase/endoribonuclease IRE1 (1682 Activities)

Discover Target: ERN1

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

JeKo-1 (376 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 5 mg/mL, clear (warmed)
• Sensibilidad: light sensitive
• Peso molecular: 204.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.042 Da
• Monoisotopic Mass: 204.042 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 321.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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