Bozitinib (PLB-1001) - Moligand™, ≥98% , Inhibitor of MET proto-oncogene; receptor tyrosine kinase, CAS No.1440964-89-5, Inhibitor of MET proto-oncogene; receptor tyrosine kinase

CAS: 1440964-89-5 Cat. No.: B413622 Peso molecular: 424.38

GRADE & PURITY Moligand™, ≥98%

Synonyms

1,2,4-Triazolo(4,3-b)pyridazine, 6-(1-cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6- fluoro-2-methyl-2H-indazol-5-yl)methyl)- | 6-(1-Cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-methyl-2H-indazol-5-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazine | UNII-2W

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Bozitinib (PLB-1001) Bozitinib (PLB-1001, CBT-101, APL-101, CBI-3103) is a highly selective ATP-competitive c-Met inhibitor with blood-brain barrier permeability. Bozitinib (PLB-1001) selectively inhibits MET-altered tumor cells in preclinical models.

Targets

c-Met

Specifications

Sinónimos

1, 2, 4-Triazolo(4, 3-b)pyridazine, 6-(1-cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6- fluoro-2-methyl-2H-indazol-5-yl)methyl)- | 6-(1-Cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-methyl-2H-indazol-5-yl)methyl)-[1, 2, 4]triazolo[4, 3-b]pyridazine | UNII-2W

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Bozitinib (PLB-1001, CBT-101, APL-101, CBI-3103) is a highly selective ATP-competitive c-Met inhibitor with blood-brain barrier permeability. Bozitinib (PLB-1001) selectively inhibits MET-altered tumor cells in preclinical models.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of MET proto-oncogene; receptor tyrosine kinase

Pureza

≥98%

Propiedades del producto

• ALogP: 3.548
• hba_count: 5
• Enlace rotable: 4

Nombres e identificadores

• Pubchem Sid: 504772255
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772255
• Sonrisas canónicas: CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
• IUPAC Name: 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
• InChIKey: QHXLXUIZUCJRKV-UHFFFAOYSA-N
• INCHI: 1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3
• Isómeros SMILES: CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
• Peso molecular: 424.38
• Reaxy-Rn: 26647178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26647178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazolopyridazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazolopyridazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridazines
• Alternative Parents: Indazoles Pyridazines and derivatives Benzenoids Aryl fluorides Triazoles Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyridazine - Indazole - Benzopyrazole - Benzenoid - Pyridazine - Aryl halide - Aryl fluoride - Heteroaromatic compound - 1,2,4-triazole - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triazolopyridazines. These are polycyclic compounds containing a triazole fused to a pyridazine. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridazine is a six-membered aromatic ring with two adjacent nitrogen atoms, and for carbon atoms.
• 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

Objetivos asociados (humanos)

MET Tclin Hepatocyte growth factor receptor (0 Activities)

Discover Target: MET

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 85 mg/mL (200.29 mM); Ethanol: 2.5 mg/mL (5.89 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 85
• DMSO (mM) Solubilidad máxima: 200.292190960931
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 424.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 424.137 Da
• Monoisotopic Mass: 424.137 Da
• Topological Polar Surface Area: 78.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 681.000
• 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

Referencias

1. Chenyu Cao, Yifei Li, Fangzhou Shi, Shanshan Jiang, Yutong Li, Leilei Yang, Xinyi Zhou, Yuqiong Gao, Feiyan Tang, Huan Li, Shulan Han, Zhuo Yu, Yifang Zou, Jianfeng Guo.  (2024)  Nano co-delivery of doxorubicin and plumbagin achieves synergistic chemotherapy of hepatocellular carcinoma.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:38971510] [10.1016/j.ijpharm.2024.124424]

2. Bie Songtao, Yuan Hui, Shi Chen, Li Chunshuang, Lu Ming, Yao Ze, Liu Ruobing, Lu Ding, Ma Tenglong, Yu Heshui.  (2025)  Antibiofilm activity of Plumbagin against Staphylococcus aureus.  Scientific Reports,  15  (1): (1-11).  [PMID:40055436] [10.1038/s41598-025-92435-5]