(2S,4R)-1-((2S)-2-(4-(4-(((4-((1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)-6-cyclopropyl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-8-yl)oxy)methyl)phenyl)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

Catalog No. :: ACCIXN417
CAS No. :: 2821793-99-9
Molecular Formula :: C60H65FN12O7S
Molecular Weight :: 1117.32

IUPAC Name:(2S,4R)-1-((2S)-2-(4-(4-(((4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-cyclopropyl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-8-yl)oxy)methyl)phenyl)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-((2S)-2-(4-(4-(((4-((1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)-6-cyclopropyl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-8-yl)oxy)methyl)phenyl)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide structure diagram

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Product Information

Product Name	(2S,4R)-1-((2S)-2-(4-(4-(((4-((1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)-6-cyclopropyl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-8-yl)oxy)methyl)phenyl)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
IUPAC Name	(2S,4R)-1-((2S)-2-(4-(4-(((4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-cyclopropyl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-8-yl)oxy)methyl)phenyl)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
Molecular Formula	C60H65FN12O7S
Molecular Weight	1117.32
SMILES	O=C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C3=C(N=CS3)C)C=C2)CO)=O)[C@H](C(C)C)N(N=N4)C=C4C(C=C5)=CC=C5COC6=C(C7=C8C(NN=C8)=CC(F)=C7C)C(C9CC9)=CC%10=C6N=C(N=C%10N%11[C@@]%12([H])C[C@@](NC%12)([H])C%11)OC%13CCOCC%13
InChI Key	XXWMEQMGQNHRAF-WFJRNIGCSA-N
Synonym	KRAS G12D inhibitor 17;Setidegrasib/KRAS G12D inhibitor 17;2-Pyrrolidinecarboxamide, 1-[(2S)-2-[4-[4-[[[6-cyclopropyl-4-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]-8-quinazolinyl]oxy]methyl]phenyl]-1H-1,2,3-triazol-1-yl]-3-methyl-1-oxobutyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (2S,4R)-
CAS No.	2821793-99-9

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302-H315-H319
Precautionary Statement(s): P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

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ACCIXN4172821793-99-9

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ACCIXN4172821793-99-9

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1. ACCIXN417 Molecular Building Block Synthetic Route

2. ACCIXN417 Molecular Building Block Synthetic Route

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