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

Overview

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

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of MET proto-oncogene; receptor tyrosine kinase

Purity

≥98%

Product Properties

• ALogP: 3.548
• hba_count: 5
• Rotatable Bond: 4

Names and Identifiers

• Pubchem Sid: 504772255
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772255
• Canonical Smiles: 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
• Isomeric SMILES: CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
• Molecular Weight: 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
    • Class Triazolopyridazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: 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) Max Solubility: 85
• DMSO(mM) Max Solubility: 200.292190960931
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 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

References

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]