Basic information
- CAS
2769954-39-2- Standard SMILES
C=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2ccc(C(F)(F)F)cc2)c1- InChIKey
XIMJCWSFLXXQMZ-UHFFFAOYSA-N- Molecular formula
- C24H19F4N7O
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 497.1587209
Overview
Pebezertinib is a small molecule drug. The usage of the INN stem '-ertinib' in the name indicates that Pebezertinib is a epidermal growth factor receptor (EGFR) inhibitor. Pebezertinib is under investigation in clinical trial NCT05241873 ((Concerto) Study of BLU-451 in Advanced Cancers With EGFR Exon 20 Insertion Mutations). Pebezertinib has a monoisotopic molecular weight of 497.16 Da.
Names & identifiers
- Preferred name
- Pebezertinib
- IUPAC
- N-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
- English name
- 2-Propenamide, N-[4-fluoro-3-[[2-[(1-methyl-1H-pyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]phenyl]-
- Molecular formula
- C24H19F4N7O
- Molecular weight
- 497.45
Names & synonyms
PebezertinibBLU-4512769954-39-2BLU203139;Pebezertinib (USAN)BLU-203139;PEBEZERTINIB [USAN]2-Propenamide, N-[4-fluoro-3-[[2-[(1-methyl-1H-pyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]phenyl]-N-(4-Fluoro-3-((2-((1-methyl-1H-pyrazol-4-yl)amino)-5-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)phenyl)acrylamideN-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamidepebezertinib [INN]Pebezertinib; BLU-451
Show more names
G8G5AU5GLJBLU451LNG451orb2647563orb2664575BLU 451 [WHO-DD]CHEMBL6068412SCHEMBL24392854
Database identifiers
- CAS
2769954-39-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 748
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 12.22 · 12.22±0.70(Predicted)
- color
- White to off-white
- InChIKey
- XIMJCWSFLXXQMZ-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(F)C(NC2C(C3=CC=C(C(F)(F)F)C=C3)=CN=C(NC3=CN(C)N=C3)N=2)=C1)(=O)C=C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesPebezertinib (BLU 451) is an orally active inhibitor for EGFR. Pebezertinib exhibits the ability to penetrate the central nervous system (CNS). Pebezertinib can be used for research about non-small cell lung cancer carrying EGFR exon 20 insertion[1].
Suppliers23 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
济南川贝生物科技有限公司18654547380; 15269175648 · [email protected]
广州新长实医药生物科技有限公司19066311943 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…