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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23NO7S.2Na
Molecular Weight 443.422
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEFERITAZOLE DISODIUM

SMILES

[Na+].[Na+].COCCOCCOCCOC1=CC=CC(C2=N[C@](C)(CS2)C([O-])=O)=C1[O-]

InChI

InChIKey=ZGUSTINUKQHFCO-JPKZNVRTSA-L
InChI=1S/C18H25NO7S.2Na/c1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2;;/h3-5,20H,6-12H2,1-2H3,(H,21,22);;/q;2*+1/p-2/t18-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C18H23NO7S
Molecular Weight 397.443
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Deferitazole is an iron chelator, developed by the FerroKin BioSciences (later acquired by Shire, and then by Takeda). Deferitazole is a member of the desazadesferrithiocin class of siderophore-related tridentate chelators. It binds Fe(III) with very high affinity and selectivity over Fe(II) and other biologically important metals. Deferitazole was investigated in phase 2 clinical trials in patients with iron overload due to repeated red blood cell transfusion and beta-thalassemia, however, the development of the drug was discontinued. In preclinical models, deferitazole demonstrated efficacy for the treatment and prevention of malaria.

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:12:42 UTC 2023
Edited
by admin
on Sat Dec 16 10:12:42 UTC 2023
Record UNII
U5SD55XZY8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEFERITAZOLE DISODIUM
Common Name English
(4S)-2-(2-HYDROXY-3-(3,6,9-TRIOXADECYLOXY)PHENYL)-4-METHYL-4,5-DIHYDROTHIAZOLE-4- CARBOXYLATE DISODIUM SALT
Systematic Name English
DEFERITAZOLE DISODIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
U5SD55XZY8
Created by admin on Sat Dec 16 10:12:42 UTC 2023 , Edited by admin on Sat Dec 16 10:12:42 UTC 2023
PRIMARY
PUBCHEM
71599794
Created by admin on Sat Dec 16 10:12:42 UTC 2023 , Edited by admin on Sat Dec 16 10:12:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY