Ligand Information
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Ligand ID |
L2AHZ0
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Ligand Name |
(alphaR)-6-[5-chloro-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-alpha-methyl-1-oxo-2H-isoindole-2-acetamide
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Synonyms |
2095719-92-7; ASTX029; ASTX-029; ERK1/2 inhibitor 2; (alphaR)-6-[5-chloro-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-alpha-methyl-1-oxo-2H-isoindole-2-acetamide; 14FDK6ISC9; (2R)-2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide; (R)-2-(6-(5-Chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)-1-oxoisoindolin-2-yl)-N-((S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)propanamide; (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide; UNII-14FDK6ISC9; ASTX 029 [WHO-DD]; CHEMBL4847260; SCHEMBL18765557; GTPL11727; BDBM418007; EX-A4375; NSC836440; ERK1/2 inhibitor 2(ASTX-029); US10457669, Example 685; NSC-836440; US10457669, Example 1083; compound 15 [PMID: 34387469]; AC-36904; HY-126288; CS-0101412; 2H-ISOINDOLE-2-ACETAMIDE, 6-(5-CHLORO-2-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)-4-PYRIMIDINYL)-N-((1S)-1-(3-FLUORO-5-METHOXYPHENYL)-2-HYDROXYETHYL)-1,3-DIHYDRO-.ALPHA.-METHYL-1-OXO-, (.ALPHA.R)-; 2H-Isoindole-2-acetamide, 6-(5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)-4-pyrimidinyl)-N-((1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)-1,3-dihydro-alpha-methyl-1-oxo-, (alphaR)-; RYW
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Structure |
Download2D MOL |
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Formula |
C29H31ClFN5O5
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Canonical SMILES |
CC(C(=O)NC(CO)C1=CC(=CC(=C1)F)OC)N2CC3=C(C2=O)C=C(C=C3)C4=NC(=NC=C4Cl)NC5CCOCC5
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InChI |
1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1
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InChIKey |
BVRGQPJKSKKGIH-PUAOIOHZSA-N
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PubChem Compound ID |
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