IITZ-01 - 10mM in DMSO , CAS No.1807988-47-1

CAS: 1807988-47-1 Cat. No.: I422217 分子式: C₂₆H₂₃FN₈O 分子量: 482.51

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

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

Specifications

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

製品の性質

• ALogP: 6.104
• hba_count: 5
• HBD数: 3
• 回転可能な結合: 6

名前と識別子

• パブケム・シド: 528764878
• カノニカル・スマイル: 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)
• 分子量: 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
    • 分類 Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• DMSO（mg / mL） 最大溶解度: 100
• DMSO（mM） 最大溶解度: 207.249590682058
• 分子量: 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