PLB-1001 CAS#: 1440964-89-5; 凯望编码 (ChemWhat Code): 1417548

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名PLB-1001
IUPAC Name6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
分子结构Structure of PLB-1001 CAS 1440964-89-5
CAS编号 1440964-89-5
别名Bozitinib
1440964-89-5
Vebreltinib
PLB-1001
APL-101
Bozitinib (PLB-1001)
Vebreltinib [USAN]
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
CBT-101
CBI-3103
2WZP8A9VFN
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)-
5-{[6-(1-cyclopropyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]difluoromethyl}-6-fluoro-2-methyl-2H-indazole
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
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-2WZP8A9VFN
VEBRELTINIB [INN]
VEBRELTINIB [WHO-DD]
CHEMBL4650443
SCHEMBL15594471
GTPL11677
PLB1001
QHXLXUIZUCJRKV-UHFFFAOYSA-N
BDBM107096
EX-A5644
s6762
WHO 11677
AKOS040732634
MS-27454
HY-125017
CS-0088607
G16990
US9695175, 44
A937089
PLB-1001;T-101; APL-101; CBI-3103
分子式C20H15F3N8
分子量424.4
InChIInChI=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
InChI KeyQHXLXUIZUCJRKV-UHFFFAOYSA-N
Isomeric SMILESCN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
Patent Information
Patent IDTitlePublication Date
WO2022/226168DIAGNOSTIC AND TREATMENT OF CANCER USING C-MET INHIBITOR2022
WO2021/222045NOVEL PHARMACEUTICAL FORMULATION FOR C-MET INHIBITOR2021
WO2019/161320CANCER TREATMENT USING COMBINATION OF NEUTROPHIL MODULATOR WITH MODULATOR OF IMMUNE CHECKPOINT2019
WO2014/32498HIGHLY SELECTIVE C-MET INHIBITORS AS ANTICANCER AGENTS2014

Physical Data

Melting Point, °C
203
221.16

Spectra

Route of Synthesis (ROS)

Route-of-Synthesis-ROS-of-PLB-1001-CAS-1440964-89-5
Route-of-Synthesis-ROS-of-PLB-1001-CAS-1440964-89-5
ConditionsYield
With methanesulfonic acid; 1-methoxy-2-propanol In methanol at 90℃; for 16h;

Experimental Procedure
44 Example 44 : 6-(l-Cyclopropyl-lH-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-inethyl-(2H- indazol-5-yl)methyl)-[l,2,4]triazolo[4,3-b]pyridazine
General procedure: Example 44 : 6-(l-Cyclopropyl-lH-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-inethyl-(2H- indazol-5-yl)methyl)-[l,2,4]triazolo[4,3-b]pyridazine To a 100 n L round bottom flask is added l-methoxy-2-propanol (15 n L), methyl sulfonic acid (0.898 g, 9.4 mmol), 2,2-difluoro-2-(6-fluoro-2-methyl-2H-indazol-5-yl) acetohydrazide (2.01 g, 7.8 mmol), and 3-chloro-6-(l-cyclopropyl-lH-pyrazol-4-yl) pyridazine (1.81 g, 8.2 mmol). The reaction mixture is stirred at 90 °C for 16 hr. After removal of solvent, the residue is purified on a silica gel flash chromatography with methanol/dichloromethane (1 :20) to yield a light yellow solid (1.32 g, 40% yield). (MS: [M+l] 425)		40%

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

HS Code
StorageStore at -20°C and away from light
Shelf Life2 years
Market Price
Druglikeness
Lipinski rules component
分子量424.388
logP5.934
HBA8
HBD0
Matching Lipinski Rules3
Veber rules component
Polar Surface Area (PSA)78.72
Rotatable Bond (RotB)4
Matching Veber Rules2
Use Pattern
PLB-1001 CAS#: 1440964-89-5 is a receptor tyrosine kinase inhibitor targeting the cell-mesenchymal-epithelial transition factor (c-MET), capable of inhibiting the proliferation of tumor cells with elevated c-MET expression. This drug can penetrate the blood-brain barrier and has been registered for 8 clinical trials domestically, with indications including non-small cell lung cancer (NSCLC), gliomas, and more.

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