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Name	Zaurategrast	EINECS	N/A
CAS No.	455264-31-0	Density	1.53
PSA	104.21000	LogP	5.56230
Solubility	N/A	Melting Point	N/A
Formula	C₂₆H₂₅BrN₄O₃	Boiling Point	714.2±60.0 °C(Predicted)
Molecular Weight	521.413	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	UNII-06A0IC74I3;(S)-3-(4-((2,7-Naphthyridin-1-yl)amino)phenyl)-2-((2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino)propanoic acid;(2S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid;CS-0322;(2S)-2-(2-bromo-3-oxospiro[3,5]non-1-en-1-ylamino)-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propionic acid;CDP 323;Zaurategrast;Zaurategrast [INN];	Article Data	3

Zaurategrast Synthetic route

Conditions	Yield
With lithium hydroxide; water In tetrahydrofuran at 20℃; for 2h;	64%
With human carboxylesterase 1, recombinant In aq. phosphate buffer at 37℃; for 1h; pH=7.4; Reagent/catalyst; Enzymatic reaction;

Conditions	Yield
With human liver microsomes In aq. phosphate buffer at 37℃; for 0.166667h; pH=7.4; Enzymatic reaction;

Conditions	Yield
With human liver microsomes In aq. phosphate buffer at 37℃; for 1h; pH=7.4; Enzymatic reaction;

: isopropyl (2S)-2-(2-bromo-3-oxospiro[3,5]non-1-en-1-ylamino)-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoate

Conditions	Yield
With hydrogenchloride at 20 - 25℃; for 16h;	77.4%

: 2-hydroxyethyl (2S)-2-(2-bromo-3-oxospiro[3,5]non-1-en-1-ylamino)-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoate

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide) at 20℃;	66%

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