4μ8C - 10mM in DMSO , CAS No.14003-96-4

CAS: 14003-96-4 Cat. No.: C421493 Summenformel: C₁₁H₈O₄ Molekulargewicht: 204.18 EG-Nummer: 808-752-9

GRADE & PURITY 10mM in DMSO

Synonyms

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 | BDBM50013795 | AC-32642 | Pinacr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

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 | BDBM50013795 | AC-32642 | Pinacr

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528761089

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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