(2S,4R)-N-((1S,4S)-6-(4-(4-Bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9-yl)piperidin-1-yl)-4-methyl-1-(4-(4-methylthiazol-5-yl)phenyl)hexyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

Catalog No. :: ACGHQC866
CAS No. :: 2913161-19-8
Molecular Formula :: C56H68BrFN8O5S
Molecular Weight :: 1064.18

IUPAC Name:(2S,4R)-N-((1S,4S)-6-(4-(4-bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9-yl)piperidin-1-yl)-4-methyl-1-(4-(4-methylthiazol-5-yl)phenyl)hexyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-((1S,4S)-6-(4-(4-Bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9-yl)piperidin-1-yl)-4-methyl-1-(4-(4-methylthiazol-5-yl)phenyl)hexyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide structure diagram

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Product Information

Product Name	(2S,4R)-N-((1S,4S)-6-(4-(4-Bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9-yl)piperidin-1-yl)-4-methyl-1-(4-(4-methylthiazol-5-yl)phenyl)hexyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
IUPAC Name	(2S,4R)-N-((1S,4S)-6-(4-(4-bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9-yl)piperidin-1-yl)-4-methyl-1-(4-(4-methylthiazol-5-yl)phenyl)hexyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
Molecular Formula	C56H68BrFN8O5S
Molecular Weight	1064.18
SMILES	O=C1N=C2N(C=3C(N2C4CCCC4)=CC(=CC3)C5CCN(CC[C@H](CC[C@H](NC(=O)[C@H]6N(C([C@@H](NC(=O)C7(F)CC7)C(C)(C)C)=O)C[C@H](O)C6)C8=CC=C(C=C8)C9=C(C)N=CS9)C)CC5)C=%10C1=C(Br)C=CC%10
InChI Key	JBTHUOYYUUPUOZ-LIHPQFRDSA-N
Synonym	ACBI2;(2S,4R)-N-[(1S,4S)-6-(4-{6-bromo-11-cyclopentyl-8-oxo-1,9,11-triazatetracyclo[8.7.0.02,?.012,1?]heptadeca-2(7),3,5,9,12(17),13,15-heptaen-14-yl}piperidin-1-yl)-4-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CAS No.	2913161-19-8

Safety Data

Pictogram
Signal Word: Danger
Hazard Statement(s): H302-H314
Precautionary Statement(s): P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501

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(2S,4R)-N-((1S,4S)-6-(4-(4-Bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9-yl)piperidin-1-yl)-4-methyl-1-(4-(4-methylthiazol-5-yl)phenyl)hexyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

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Synthetic Route by SureRoute

1. ACGHQC866 Molecular Building Block Synthetic Route

2. ACGHQC866 Molecular Building Block Synthetic Route

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(2S,4R)-N-((1S,4S)-6-(4-(4-Bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9-yl)piperidin-1-yl)-4-methyl-1-(4-(4-methylthiazol-5-yl)phenyl)hexyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

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Synthetic Route by SureRoute

(1R)-1-[Bis(2-methoxyphenyl)phosphino]-2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]ferrocene

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1-Dicyclohexylphosphino-1'-{(S)-{(SP)-2-[(R)-1-(dimethylamino)ethyl]Ferrocenyl}phenylphosphino}Ferrocene

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