2-Butenamide, N-[4-[(3-chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-, (2E)-
- Product Name
- 2-Butenamide, N-[4-[(3-chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-, (2E)-
- CAS No.
- 2607829-38-7
- Chemical Name
- 2-Butenamide, N-[4-[(3-chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-, (2E)-
- Synonyms
- BDTX-1535;Silevertinib;"(2E)-N-[4-[(3-Chloro-2-fluorophenyl)amino]-7-[2- [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-2-b";(E)-N-(4-((3-Chloro-2-fluorophenyl)amino)-7-(((1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)ethynyl)quinazolin-6-yl)-4-morpholinobut-2-enamide;2-Butenamide, N-[4-[(3-chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-, (2E)-
- CBNumber
- CB59776602
- Molecular Formula
- C30H30ClFN6O2
- Formula Weight
- 561.05
- MOL File
- 2607829-38-7.mol
2-Butenamide, N-[4-[(3-chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-, (2E)- Property
- Boiling point:
- 730.0±60.0 °C(Predicted)
- Density
- 1.42±0.1 g/cm3(Predicted)
- pka
- 11.44±0.43(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- InChIKey
- LMOVDLRMIRLIJF-TUVXKDNKSA-N
- SMILES
- C(NC1C(C#C[C@]23[C@]([H])(C2)CN(C)C3)=CC2C(C=1)=C(NC1=CC=CC(Cl)=C1F)N=CN=2)(=O)/C=C/CN1CCOCC1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P501Dispose of contents/container to..…
2-Butenamide, N-[4-[(3-chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-, (2E)- Chemical Properties,Usage,Production
Uses
BDTX-1535 (EGFR-IN-76, compound 37A) is an orally active, brain-penetrant, selective and potent EGFR tyrosine kinase inhibitor. BDTX-1535 achieves potent anti-tumor activity against EGFR alterations and amplification across models including NSCLC, GBM PDX and intracranial tumors[1][2][3].
References
[1] Lucas MC, et al. Preparation of alkynyl quinazoline compounds as anticancer agents. World Intellectual Property Organization, WO2021030711 A1. 2021-02-18.
[2] O'Connor M, et al. Discovery of BDTX-1535, a novel 4th generation, irreversible, potent, wild type sparing EGFR MasterKey inhibitor that targets oncogenic kinase domain mutations as well as extracellular domain alterations for the treatment of NSCLC and GBM[J]. Cancer Research, 2023, 83(7_Supplement): 3396-3396.
[3] Lucas M, et al. BDTX-1535, a fourth generation EGFR inhibitor, targeting intrinsic and acquired resistance mutations in NSCLC[J]. European Journal of Cancer, 2022, 174: S22.
2-Butenamide, N-[4-[(3-chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-, (2E)- Preparation Products And Raw materials
Raw materials
Preparation Products
2-Butenamide, N-[4-[(3-chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hex-1-yl]ethynyl]-6-quinazolinyl]-4-(4-morpholinyl)-, (2E)- Suppliers
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