YUM70 - ≥98% , CAS No.423145-35-1

CAS: 423145-35-1 Cat. No.: Y413413 Summenformel: C₂₁H₁₉ClN₂O₄ Molekulargewicht: 398.84 PubChem CID: 3138755

GRADE & PURITY ≥98%

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504762474
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762474
• Kanonisches Lächeln: 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)
• Isomere SMILES: CCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl
• PubChem CID: 3138755
• Molekulargewicht: 398.84

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HEK293 (82097 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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microRNA 21 (64692 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Streptococcus (3973 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Streptococcus sp. 'group A' (3417 Activities)

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INS1 (2867 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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ska Streptokinase A (5805 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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HSP90 (947 Activities)

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recD Exodeoxyribonuclease V (225 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 80 mg/mL (200.58 mM); Water: Insoluble; Ethanol: Insoluble
• Molekulargewicht: 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

Referenzen

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]