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455264-31-0

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Basic Information
CAS No.: 455264-31-0
Name: N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-L-phenylalanine
Article Data: 3
Molecular Structure:
Molecular Structure of 455264-31-0 (N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-L-phenylalanine)
Formula: C26H25BrN4O3
Molecular Weight: 521.413
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];
Density: 1.53
Boiling Point: 714.2±60.0 °C(Predicted)
PSA: 104.21000
LogP: 5.56230
Related products
Synthetic route
455264-30-9

zaurategrast ethyl

455264-31-0

zaurategrast

Conditions
ConditionsYield
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;
67-56-1

methanol

455264-30-9

zaurategrast ethyl

A

455264-31-0

zaurategrast

B

C27H27BrN4O3

Conditions
ConditionsYield
With human liver microsomes In aq. phosphate buffer at 37℃; for 0.166667h; pH=7.4; Enzymatic reaction;
...Expand
455264-30-9

zaurategrast ethyl

1859-08-1

ethanol-d5

A

455264-31-0

zaurategrast

B

C28H24(2)H5BrN4O3

Conditions
ConditionsYield
With human liver microsomes In aq. phosphate buffer at 37℃; for 1h; pH=7.4; Enzymatic reaction;
...Expand
455264-31-0

zaurategrast

67-63-0

isopropyl alcohol

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

Conditions
ConditionsYield
With hydrogenchloride at 20 - 25℃; for 16h;77.4%
455264-31-0

zaurategrast

107-21-1

ethylene glycol

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
ConditionsYield
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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