YUM70 - 10mM in DMSO , CAS No.423145-35-1

CAS: 423145-35-1 Cat. No.: Y423915 Formula: C₂₁H₁₉ClN₂O₄ Peso molecolare: 398.84 PubChem CID: 3138755

GRADE & PURITY 10mM in DMSO

Synonyms

Butanamide,N-​[1,​3-​benzodioxol-​5-​yl(5-​chloro-​8-​hydroxy-​7-​quinolinyl)​methyl]​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

YUM70 is a potent inhibitor ofglucose-regulated protein 78 (GRP78)inhibitor with an IC50 of 1.5 μM. YUM70 induces endoplasmic reticulum (ER) stress-mediated apoptosis in pancreatic cancer.

Specifications

Sinonimi

Butanamide,N-​[1,​3-​benzodioxol-​5-​yl(5-​chloro-​8-​hydroxy-​7-​quinolinyl)​methyl]​-

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

YUM70 is a potent inhibitor of glucose-regulated protein 78 (GRP78) inhibitor with an IC50 of 1.5 μM. YUM70 induces endoplasmic reticulum (ER) stress-mediated apoptosis in pancreatic cancer.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Pubchem Sid: 528768544
• Sorrisi canonici: CCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl
• IUPAC Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]butanamide
• InChIKey: BIQMEYCMAGHOEQ-UHFFFAOYSA-N
• INCHI: 1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)
• Isomeri SMILES: CCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl
• PubChem CID: 3138755
• Peso molecolare: 398.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolines
• Alternative Parents: 8-hydroxyquinolines Chloroquinolines Benzodioxoles Pyridines and derivatives Aryl chlorides N-acyl amines Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Hydroxyquinoline - Chloroquinoline - 8-hydroxyquinoline - Benzodioxole - Aryl chloride - Aryl halide - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 398.800 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 398.103 Da
• Monoisotopic Mass: 398.103 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 550.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Shoukang Du, Yuhan Wang, Bowen Chen, Shuangshuang Xie, Kuan Yoow Chan, David C Hay, Ting Gang Chew.  (2025)  Clearance of protein aggregates during cell division.  eLife,      [PMID:40476343] [10.7554/eLife.96675]

2. Shoukang Du, Yuhan Wang, Ting Gang Chew.  (2026)  Spatial organization of ER-derived protein aggregates in the nucleus requires the Hsp70-family member BiP.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:41650848] [10.1016/j.bbrc.2026.153406]