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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21NO6S
Molecular Weight 355.406
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Petadeferitrin

SMILES

COCCOCCOC1=CC=C(C2=N[C@](C)(CS2)C(O)=O)C(O)=C1

InChI

InChIKey=YASYAEVZKXPYIZ-MRXNPFEDSA-N
InChI=1S/C16H21NO6S/c1-16(15(19)20)10-24-14(17-16)12-4-3-11(9-13(12)18)23-8-7-22-6-5-21-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,20)/t16-/m1/s1

HIDE SMILES / InChI
Molecular Formula C16H21NO6S
Molecular Weight 355.406
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: description was created based on several sources, including https://www.google.com/patents/WO2006107626A1 | https://www.ncbi.nlm.nih.gov/pubmed/20232803

SP-420 is iron chelator developed by University Of Florida Research Foundation for the treatment of iron overload disease

Originator

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Chelating Agent
139
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Phase I
438
Unknown

Approved Use

Unknown
Primary
Phase I
438
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
4933 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
1.5 mg/kg 1 times / day multiple, oral
dose: 1.5 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
9900 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
3 mg/kg 1 times / day multiple, oral
dose: 3 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
11987 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
6 mg/kg 1 times / day multiple, oral
dose: 6 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
25633 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
12 mg/kg 1 times / day multiple, oral
dose: 12 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
46767 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
24 mg/kg 1 times / day multiple, oral
dose: 24 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
23450 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
9 mg/kg 2 times / day multiple, oral
dose: 9 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
13810 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
1.5 mg/kg 1 times / day multiple, oral
dose: 1.5 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
28690 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
3 mg/kg 1 times / day multiple, oral
dose: 3 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
32117 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
6 mg/kg 1 times / day multiple, oral
dose: 6 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
84056 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
12 mg/kg 1 times / day multiple, oral
dose: 12 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
151446 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
24 mg/kg 1 times / day multiple, oral
dose: 24 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
81642 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28940308/
9 mg/kg 2 times / day multiple, oral
dose: 9 mg/kg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
SP-420 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Doses

Doses

DosePopulationAdverse events​
24 mg/kg 1 times / day multiple, oral
Highest studied dose
Dose: 24 mg/kg, 1 times / day
Route: oral
Route: multiple
Dose: 24 mg/kg, 1 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
Disc. AE: Maculo-papular rash...
AEs leading to
discontinuation/dose reduction:
Maculo-papular rash (16.7%)
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
9 mg/kg 2 times / day multiple, oral
Studied dose
Dose: 9 mg/kg, 2 times / day
Route: oral
Route: multiple
Dose: 9 mg/kg, 2 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
Disc. AE: Drug hypersensitivity, Fanconi syndrome...
AEs leading to
discontinuation/dose reduction:
Drug hypersensitivity (16.7%)
Fanconi syndrome (16.7%)
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
AEs

AEs

AESignificanceDosePopulation
Maculo-papular rash 16.7%
Disc. AE
24 mg/kg 1 times / day multiple, oral
Highest studied dose
Dose: 24 mg/kg, 1 times / day
Route: oral
Route: multiple
Dose: 24 mg/kg, 1 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
Drug hypersensitivity 16.7%
Disc. AE
9 mg/kg 2 times / day multiple, oral
Studied dose
Dose: 9 mg/kg, 2 times / day
Route: oral
Route: multiple
Dose: 9 mg/kg, 2 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
Fanconi syndrome 16.7%
Disc. AE
9 mg/kg 2 times / day multiple, oral
Studied dose
Dose: 9 mg/kg, 2 times / day
Route: oral
Route: multiple
Dose: 9 mg/kg, 2 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/28940308/
PubMed

PubMed

TitleDatePubMed
The impact of polyether chain length on the iron clearing efficiency and physiochemical properties of desferrithiocin analogues.
2010-04-08
Patents

Patents

WO2006107626
1

Sample Use Guides

In Vivo Use Guide
1.5-24 mg/kg SP-420 once daily for 14 days
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:46:55 GMT 2025
Edited
by admin
on Mon Mar 31 22:46:55 GMT 2025
Record UNII
WBX54NZ436
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SP-420
Preferred Name English
Petadeferitrin
INN  
Official Name English
4-THIAZOLECARBOXYLIC ACID, 4,5-DIHYDRO-2-(2-HYDROXY-4-(2-(2-METHOXYETHOXY)ETHOXY)PHENYL)-4-METHYL-, (4S)-
Systematic Name English
petadeferitrin [INN]
Common Name English
(4S)-4,5-DIHYDRO-2-(2-HYDROXY-4-(2-(2-METHOXYETHOXY)ETHOXY)PHENYL)-4-METHYL-4-THIAZOLECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C178064
Created by admin on Mon Mar 31 22:46:55 GMT 2025 , Edited by admin on Mon Mar 31 22:46:55 GMT 2025
PRIMARY
PUBCHEM
135511704
Created by admin on Mon Mar 31 22:46:55 GMT 2025 , Edited by admin on Mon Mar 31 22:46:55 GMT 2025
PRIMARY
INN
13298
Created by admin on Mon Mar 31 22:46:55 GMT 2025 , Edited by admin on Mon Mar 31 22:46:55 GMT 2025
PRIMARY
CAS
911714-45-9
Created by admin on Mon Mar 31 22:46:55 GMT 2025 , Edited by admin on Mon Mar 31 22:46:55 GMT 2025
PRIMARY
SMS_ID
300000045929
Created by admin on Mon Mar 31 22:46:55 GMT 2025 , Edited by admin on Mon Mar 31 22:46:55 GMT 2025
PRIMARY
FDA UNII
WBX54NZ436
Created by admin on Mon Mar 31 22:46:55 GMT 2025 , Edited by admin on Mon Mar 31 22:46:55 GMT 2025
PRIMARY
Related Record Type Details
Structure of Petadeferitrin
ACTIVE MOIETY
iron chelating agent
NIH
NCATS
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