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Bozitinib (PLB-1001) - 10mM in DMSO, high purity , CAS No.1440964-89-5, Inhibitor of MET proto-oncogene; receptor tyrosine kinase
Basic Description
Synonyms
Bozitinib | Vebreltinib | 1440964-89-5 | PLB-1001 | APL-101 | Bozitinib (PLB-1001) | Vebreltinib [USAN] | CBT-101 | CBI-3103 | 2WZP8A9VFN | 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine | 1,2,4-Triazolo(4,3-b)
Specifications & Purity
Moligand™, 10mM in DMSO
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 Temp
Store at -80°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
Product Description
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
Taxonomic Classification
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.
Product Properties
ALogP
3.548
hba_count
5
Rotatable Bond
4
Associated Targets(Human)
Names and Identifiers
IUPAC Name
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
INCHI
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
InChIKey
QHXLXUIZUCJRKV-UHFFFAOYSA-N
Smiles
CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
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
Citations of This Product
1.
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).
2.
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,
661
(124424).
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2 Citations