4μ8C - ≥98%(HPLC) , CAS No.14003-96-4

CAS: 14003-96-4 Cat. No.: C167186 Fórmula: C₁₁H₈O₄ Peso molecular: 204.18 Número CE: 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

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Blocks substrate access to the active site of IRE1α. Inhibits regulated IRE1-dependent degradation (RIDD) and unconventional spicing of Xbp1 mRNA in response to endopasmic reticulum (ER) stress but has no effect on IRE1 kinase activity.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

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%(HPLC)

Nomes e identificadores

Pubchem Sid

504767284

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767284

Sorrisos canónicos

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

SMILES isoméricas

CC1=CC(=O)OC2=C1C=CC(=C2C=O)O

WGK Alemanha

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
    • Classe Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrição: 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

Alvos associados (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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Solubilidade: DMSO: 5 mg/mL, clear (warmed)
• Sensibilidade: 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14003-96-4, the molecular formula is C11H8O4, and the molecular weight is 204.18 g/mol. InChIKey RTHHSXOVIJWFQP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.