(2S,4S)-1-((S)-3,3-Dimethyl-2-(8-oxo-8-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)octanamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

Catalog No. :: ACZNZB804
CAS No. :: 3013618-85-1
Molecular Formula :: C50H62F3N9O6S
Molecular Weight :: 974.16

IUPAC Name:(2S,4S)-1-((S)-3,3-dimethyl-2-(8-oxo-8-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)octanamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

(2S,4S)-1-((S)-3,3-Dimethyl-2-(8-oxo-8-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)octanamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide structure diagram

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Product Information

Product Name	(2S,4S)-1-((S)-3,3-Dimethyl-2-(8-oxo-8-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)octanamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
IUPAC Name	(2S,4S)-1-((S)-3,3-dimethyl-2-(8-oxo-8-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)octanamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
Molecular Formula	C50H62F3N9O6S
Molecular Weight	974.16
SMILES	CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCC(CNC4=NN5C(C6=CC(OC(F)(F)F)=CC=C6)=CN=C5C=C4)CC3)C(C)(C)C)C=C2)SC=N1
InChI Key	JTRQRCVYTIRJFM-WIQKRSONSA-N
CAS No.	3013618-85-1

Safety Data

Pictogram
Signal Word: Achtung
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

Synthetic Route by SureRoute

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(2S,4S)-1-((S)-3,3-Dimethyl-2-(8-oxo-8-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)octanamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

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Synthetic Route by SureRoute

1. ACZNZB804 Molecular Building Block Synthetic Route

2. ACZNZB804 Molecular Building Block Synthetic Route

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(2S,4S)-1-((S)-3,3-Dimethyl-2-(8-oxo-8-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)octanamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

Product Information

Safety Data

Synthetic Route by SureRoute

(2S,4R)-1-((S)-3,3-Dimethyl-2-(8-oxo-8-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)octanamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-((S)-2-(2-(4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

AU-16235

(2S,4R)-4-Hydroxy-1-((R)-2-(3-(((S)-1-((R)-3-((S)-2-(2-hydroxyphenyl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':4,5]pyrazino[2,3-c]pyridazin-8-yl)pyrrolidin-1-yl)propan-2-yl)oxy)isoxazol-5-yl)-3-methylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

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