Account rel-(E)-N-(7-(((1R,5S,6s)-3-oxabicyclo[3.1.0]hexan-6-yl)ethynyl)-4-((3-chloro-4-fluorophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
- Catalog No. :
- ACSMSF240
- CAS No. :
- 1398833-56-1
- Molecular Formula :
- C27H25ClFN5O2
- Molecular Weight :
- 505.98
IUPAC Name:(E)-N-(7-(((1R,5S,6s)-3-oxabicyclo[3.1.0]hexan-6-yl)ethynyl)-4-((3-chloro-4-fluorophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
![rel-(E)-N-(7-(((1R,5S,6s)-3-oxabicyclo[3.1.0]hexan-6-yl)ethynyl)-4-((3-chloro-4-fluorophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | rel-(E)-N-(7-(((1R,5S,6s)-3-oxabicyclo[3.1.0]hexan-6-yl)ethynyl)-4-((3-chloro-4-fluorophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide |
|---|---|
| IUPAC Name | (E)-N-(7-(((1R,5S,6s)-3-oxabicyclo[3.1.0]hexan-6-yl)ethynyl)-4-((3-chloro-4-fluorophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Molecular Formula | C27H25ClFN5O2 |
| Molecular Weight | 505.98 |
| SMILES | CN(C)C/C=C/C(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1C#C[C@@H]1[C@H]2COC[C@@H]12 |
| InChI Key | NQSNDWQDQPMUOC-JTOSHVFGSA-N |
| Synonym | NT113;2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[2-(1α,5α,6α)-3-oxabicyclo[3.1.0]hex-6-ylethynyl]-6-quinazolinyl]-4-(dimethylamino)-, (2E)- |
| CAS No. | 1398833-56-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACSMSF240 Molecular Building Block Synthetic Route
N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide
(R)-N-(4-((3-Chloro-2-fluorophenyl)amino)-7-((1,3-dimethylpyrrolidin-3-yl)ethynyl)quinazolin-6-yl)acrylamide
(S)-N-(4-((3-Chloro-2-fluorophenyl)amino)-7-((1,3-dimethylpyrrolidin-3-yl)ethynyl)quinazolin-6-yl)acrylamide