IITZ-01 - ≥98% , CAS No.1807988-47-1

CAS: 1807988-47-1 Cat. No.: I418558 Fórmula: C₂₆H₂₃FN₈O Peso molecular: 482.51

GRADE & PURITY ≥98%

Synonyms

N2-[4-(1H-Bbenzimidazol-2-yl)phenyl]-N4-(4-fluorophenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

IITZ-01 is a potent autophagy inhibitor, enhancing autophagosome accumulation but inhibiting autophagosomal degradation by impairing lysosomal function.

Specifications

Sinónimos

N2-[4-(1H-Bbenzimidazol-2-yl)phenyl]-N4-(4-fluorophenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

IITZ-01 is a cell penetrant and potent autophagy inhibitor in numerous cancer cells including breast, lung, and colon cancer cells. It significantly elevates LC3-II and SQSTM1 protein levels in starvation-induced autophagy conditions. IITZ-01 accumulates

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Propriedades do produto

• ALogP: 6.104
• hba_count: 5
• Contagem HBD: 3
• Ligação rotativa: 6

Nomes e identificadores

• Pubchem Sid: 504773187
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773187
• Sorrisos canónicos: C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
• IUPAC Name: 4-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
• InChIKey: XGEDDGLPNSLBFE-UHFFFAOYSA-N
• INCHI: 1S/C26H23FN8O/c27-18-7-11-20(12-8-18)29-25-32-24(33-26(34-25)35-13-15-36-16-14-35)28-19-9-5-17(6-10-19)23-30-21-3-1-2-4-22(21)31-23/h1-12H,13-16H2,(H,30,31)(H2,28,29,32,33,34)
• Peso molecular: 482.51
• Reaxy-Rn: 28733096
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28733096&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aminotriazines Morpholines Aryl fluorides 1,3,5-triazines Heteroaromatic compounds Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 2-phenylimidazole - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Fluorobenzene - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Benzenoid - Triazine - Oxazinane - Morpholine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Imidazole - Azole - Oxacycle - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl 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

Propriedades químicas e físicas

• Solubilidade: DMSO：2mg/mL,clear
• DMSO (mg/mL) Solubilidade máxima: 100
• DMSO (mM) Solubilidade máxima: 207.249590682058
• Peso molecular: 482.500 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 482.198 Da
• Monoisotopic Mass: 482.198 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 683.000
• 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