KRAS G12C inhibitor 56

Catalog No. :: ACMDAC804
CAS No. :: 2749963-77-5
Molecular Formula :: C32H39N7O4S
Molecular Weight :: 617.78

IUPAC Name:(S)-4-(5-(4-((1-acryloylpiperidin-4-yl)oxy)-6-((S)-1-((S)-1-methylpyrrolidin-2-yl)ethoxy)pyrimidin-2-yl)isoxazol-3-yl)-2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

KRAS G12C inhibitor 56 structure diagram

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Product Information

Product Name	KRAS G12C inhibitor 56
IUPAC Name	(S)-4-(5-(4-((1-acryloylpiperidin-4-yl)oxy)-6-((S)-1-((S)-1-methylpyrrolidin-2-yl)ethoxy)pyrimidin-2-yl)isoxazol-3-yl)-2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Molecular Formula	C32H39N7O4S
Molecular Weight	617.78
SMILES	N#CC1=C(N)SC2=C1[C@](C3=NOC(C4=NC(OC5CCN(C(C=C)=O)CC5)=CC(O[C@H]([C@H]6N(C)CCC6)C)=N4)=C3)(C)CCC2
InChI Key	VPGFGUVVEBRZJS-RKGKDDSLSA-N
Synonym	Benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-4-methyl-4-[5-[4-[(1S)-1-[(2S)-1-methyl-2-pyrrolidinyl]ethoxy]-6-[[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]oxy]-2-pyrimidinyl]-3-isoxazolyl]-, (4S)-;KRAS G12C inhibitor 56
CAS No.	2749963-77-5

Synthetic Route by SureRoute

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ACMDAC8042749963-77-5

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ACMDAC8042749963-77-5

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KRAS G12C inhibitor 56

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Synthetic Route by SureRoute

1. ACMDAC804 Molecular Building Block Synthetic Route

2. ACMDAC804 Molecular Building Block Synthetic Route

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KRAS G12C inhibitor 56

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Synthetic Route by SureRoute

(S)-2-Amino-4-methyl-4-(3-(4-((S)-1-((S)-1-methylpyrrolidin-2-yl)ethoxy)pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

[(R)-1-[(Sp)-2-(Dicyclohexylphosphino)ferrocenyl]ethyl]di-tert-butylphosphine

(R)-(-)-1-[(S)-2-(di(3,5-dimethyl-4-methoxyphenyl)phosphino)ferrocenyl]ethyldicyclohexylphosphine

(S)-1-{(Rp)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]-ferrocenyl}ethyldicyclohexylphosphine

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