Sodium Chloride → Citrulline

HRID 1676879Notes

Reaction equation

HRID 1676879 reaction equation
[Cl-].[Cl-].[Ca+2].C(S)[C@@H](O)[C@H]([OH:9])CS.[Na+].[Cl-].C(O)C(N)(CO)CO.Cl.C([O:25][C:26](=[O:44])[C@H:27]([CH2:37][CH2:38][CH2:39][NH:40][C:41](=N)[NH2:42])[NH:28]C(=O)C1C=CC=CC=1)C>>[NH2:28][C@H:27]([C:26]([OH:25])=[O:44])[CH2:37][CH2:38][CH2:39][NH:40][C:41]([NH2:42])=[O:9]

Participants

6

Reactant 5

HCID 5234Sodium ChlorideHCID 93573Tromethamine hydrochlorideHCID 446094D-1,4-DithiothreitolHCID 5284359Calcium ChlorideHCID 178472553HCID 178472553, compound

Product 1

HCID 9750Citrulline

Procedure

IC50 values were determined by pre-incubating various amounts of the potential inhibitor in Reaction Buffer (10 mM CaCl2, 2 mM DTT, 50 mM NaCl, 100 mM Tris HCl pH 7.6) and 0.2 μM PAD4 at 37° C. After 15 minutes, Benzoyl Arginine Ethyl Ester (BAEE; 1 mM final; 0.74×Km) was added and the reaction was allowed to proceed for 15 minutes (60 μL total volume). Reactions were quenched by flash freezing in liquid N2. The amount of Cit produced was then quantified according to methods known in the art. IC50 values were determined by fitting the data to equation 1, FracionalActivity=1/(1+[I]/IC50)   (1) using GraFit version 5.0.11. Inhibition Studies.

Workup

  1. customat 37° C
  2. waitto proceed for 15 minutes
  3. customReactions were quenched by flash

Sources & evidence

ORD record
ord-5079d0d0b5174f93a8aa1bf2b8423219
Source dataset
uspto-grants-2011_08
Patent number
US08007996B2

Reaction notes

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