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Details

Stereochemistry ACHIRAL
Molecular Formula C6H11O2.Na
Molecular Weight 138.1401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2,2-DIMETHYLBUTYRATE

SMILES

[Na+].CCC(C)(C)C([O-])=O

InChI

InChIKey=OOPXYEYPPHJHSE-UHFFFAOYSA-M
InChI=1S/C6H12O2.Na/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C6H11O2
Molecular Weight 115.1503
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

2,2-DIMETHYLBUTYRIC ACID (HQK-1001) is an orally administered SCFAD (Short Chain Fatty Acid Derivative), which has shown an excellent safety profile and biologic effects on fetal hemoglobin induction and red blood cell production in the laboratory, relevant animal models, and in clinical trials carried out in healthy human subjects as well as patients with sickle cell disease and beta thalassemia. The compound has received Orphan Drug Designation in the United States and Europe for both sickle cell disease and beta thalassemia. HemaQuest Pharmaceuticals was developing HQK-1001 for the oral treatment of sickle cell anaemia and beta thalassaemia. HQK-1001 has been evaluated in phase II trials for beta thalassaemia and sickle cell anaemia.

Approval Year

PubMed

PubMed

TitleDatePubMed
A top-down systems biology view of microbiome-mammalian metabolic interactions in a mouse model.
2007
Top-down systems biology integration of conditional prebiotic modulated transgenomic interactions in a humanized microbiome mouse model.
2008
Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma.
2008 Feb 1
Fetal globin gene inducers: novel agents and new potential.
2010 Aug
Patents

Sample Use Guides

Hemoglobin SS or S/β(0) thalassemia: HQK-1001 was administered daily for 26 weeks at 30 mg/kg (n = 15), 40 mg/kg (n = 18) and 50 mg/kg (n = 19), either alone (n = 21) or with hydroxyurea (n = 31).
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:30:27 UTC 2023
Edited
by admin
on Fri Dec 15 16:30:27 UTC 2023
Record UNII
XKM99SPB5I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2,2-DIMETHYLBUTYRATE
Systematic Name English
HQK-1001
Code English
Dimebutate sodium
Common Name English
SODIUM 2,2-DIMETHYLBUTANOATE
Systematic Name English
2,2-DIMETHYLBUTYRIC ACID, SODIUM SALT
Common Name English
BUTANOIC ACID, 2,2-DIMETHYL-, SODIUM SALT
Common Name English
SDMB
Common Name English
SODIUM 2,2 DIMETHYLBUTYRATE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 265108
Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023
EU-Orphan Drug EU/3/09/621
Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023
FDA ORPHAN DRUG 259608
Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023
Code System Code Type Description
CAS
3934-02-9
Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023
PRIMARY
PUBCHEM
53247304
Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023
PRIMARY
SMS_ID
100000178199
Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023
PRIMARY
EVMPD
SUB193821
Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023
PRIMARY
FDA UNII
XKM99SPB5I
Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY