Account (3S)-N1-[N-[[1-[4-(Dimethylamino)-4-methyl-1-oxo-2-pentyn-1-yl]-4-fluoro-4-piperidinyl]carbonyl]-N-methyl-L-valyl-3-[4-[(2R)-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-1H-indol-5-yl]-2-morpholinyl]-L-alanyl]hexahydro-3-pyridazinecarboxylic acid (3→2)-lactone
- Catalog No. :
- ACJOSW663
- CAS No. :
- 2641998-63-0
- Molecular Formula :
- C55H78FN9O8
- Molecular Weight :
- 1012.28
IUPAC Name:1-(4-(dimethylamino)-4-methylpent-2-ynoyl)-N-(1-((11-ethyl-12-(2-(1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(4,2)-morpholina-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)amino)-3-methyl-1-oxobutan-2-yl)-4-fluoro-N-methylpiperidine-4-carboxamide
![(3S)-N1-[N-[[1-[4-(Dimethylamino)-4-methyl-1-oxo-2-pentyn-1-yl]-4-fluoro-4-piperidinyl]carbonyl]-N-methyl-L-valyl-3-[4-[(2R)-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-1H-indol-5-yl]-2-morpholinyl]-L-alanyl]hexahydro-3-pyridazinecarboxylic acid (3→2)-lactone structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S)-N1-[N-[[1-[4-(Dimethylamino)-4-methyl-1-oxo-2-pentyn-1-yl]-4-fluoro-4-piperidinyl]carbonyl]-N-methyl-L-valyl-3-[4-[(2R)-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-1H-indol-5-yl]-2-morpholinyl]-L-alanyl]hexahydro-3-pyridazinecarboxylic acid (3→2)-lactone |
|---|---|
| IUPAC Name | 1-(4-(dimethylamino)-4-methylpent-2-ynoyl)-N-(1-((11-ethyl-12-(2-(1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(4,2)-morpholina-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)amino)-3-methyl-1-oxobutan-2-yl)-4-fluoro-N-methylpiperidine-4-carboxamide |
| Molecular Formula | C55H78FN9O8 |
| Molecular Weight | 1012.28 |
| SMILES | CCN1C(C2=CC=CN=C2C(C)OC)=C2CC(C)(C)COC(=O)C3CCCN(N3)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)C3(F)CCN(C(=O)C#CC(C)(C)N(C)C)CC3)CC3CN(CCO3)C3=CC=C1C2=C3 |
| InChI Key | HJNFYLSFWYRSHS-UHFFFAOYSA-N |
| Synonym | RMC6291;3-Pyridazinecarboxylic acid, N1-[N-[[1-[4-(dimethylamino)-4-methyl-1-oxo-2-pentyn-1-yl]-4-fluoro-4-piperidinyl]carbonyl]-N-methyl-L-valyl-3-[4-[(2R)-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-1H-indol-5-yl]-2-morpholinyl]-L-alanyl]hexahydro-, (3→2)-lactone, (3S)…;(3S)-N1-[N-[[1-[4-(Dimethylamino)-4-methyl-1-oxo-2-pentyn-1-yl]-4-fluoro-4-piperidinyl]carbonyl]-N-methyl-L-valyl-3-[4-[(2R)-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-1H-indol-5-yl]-2-morpholinyl]-L-alanyl]hexahydro-3-pyridazinecarboxylic acid (3→2)-lactone;RMC6291/ Elironrasib;2-(1-{1-[4-(dimethylamino)-4-methylpent-2-ynoyl]-4-fluoropiperidin-4-yl}-N-methylformamido)-N-{22-ethyl-21-[2-(1-methoxyethyl)pyridin-3-yl]-18,18-dimethyl-9,15-dioxo-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.12,?.11?,1?.023,2?]nonacosa-1(25),20,23,26-tetraen-8-yl}-3-methylbutanamide_chiral;elironrasib;Elironrasib (RMC-6291) |
| CAS No. | 2641998-63-0 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACJOSW663 Molecular Building Block Synthetic Route
(2S)-2-Cyclopentyl-2-((S)-7-((2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-2-yl)-N-((22S,63S,4S)-12-(5-(4-cyclopropylpiperazin-1-yl)-2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-11-(2,2,2-trifluoroethyl)-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(4,2)-morpholina-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)acetamide
2-cyclopentyl-2-(7-(3-cyclopropyl-1-methylaziridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-2-yl)-N-(12-(5-(4-cyclopropylpiperazin-1-yl)-2-(1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-11-(2,2,2-trifluoroethyl)-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(4,2)-morpholina-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)acetamide
(αS,5S)-7-[4-(Dimethylamino)-4-methyl-1-oxo-2-pentyn-1-yl]-N-[(3R,9S,15S)-2-ethyl-2,4,5,6,9,10,11,12,15,16-decahydro-3-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-5,5-dimethyl-8,14-dioxo-8H,14H-1,22-etheno-9,13-imino-17,21-methenopyrrolo[3,4-r][1,7]oxaazacyclodocosin-15-yl]-α-(1-methylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-2-acetamide