IITZ-01 - ≥98% , CAS No.1807988-47-1

CAS: 1807988-47-1 Cat. No.: I418558 Formule: C₂₆H₂₃FN₈O Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

• ALogP: 6.104
• hba_count: 5
• Nombre de HBD: 3
• Liaison rotative: 6

Noms et identifiants

• Pubchem Sid: 504773187
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773187
• Sourires canoniques: 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)
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO：2mg/mL,clear
• DMSO (mg/mL) Solubilité maximale: 100
• DMSO (mM) Solubilité maximale: 207.249590682058
• Poids moléculaire: 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