10-Thiastearic acid
Basic information
- CAS
105099-89-6- Standard SMILES
CCCCCCCCSCCCCCCCCC(=O)O- InChIKey
OMIBNTWPNMKIGZ-UHFFFAOYSA-N- Molecular formula
- C17H34O2S
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2279515
Overview
inhibitor of dihydrosterculic acid biosynthesis in Crithidia fasciculata
Names & identifiers
- Preferred name
- 10-Thiastearic acid
- IUPAC
- 9-octylsulfanylnonanoic acid
- English name
- 10-thiastearic acid
- Molecular formula
- C17H34O2S
- Molecular weight
- 302.52
Names & synonyms
10-Thiastearic acid105099-89-6Nonanoic acid, 9-(octylthio)-DTXSID70146944RefChem:77642DTXCID30694359-octylsulfanylnonanoic acid9-(Octylthio)nonanoic acid9-(OCTYLSULFANYL)NONANOIC ACIDCHEMBL46427orb1694582SCHEMBL8620301
Show more names
OMIBNTWPNMKIGZ-UHFFFAOYSA-N9-(octylthio)-nonanoic acid
AKOS040754635PD020305HY-113873CS-0063224T35448
Database identifiers
- CAS
105099-89-6- PubChem CID
- 128787
- DTXSID
DTXSID70146944- ChEMBL
CHEMBL46427- Nikkaji
- J915.677A
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: 10 mg/ml; PBS (pH 7.2): .15 mg/ml
- form
- A crystalline solid
Chemistry & industry
Applications
DescriptionHeteroatom-substituted fatty acids have been observed to modulate the extension and desaturating of fatty acids, and to influence their distribution within phospholipids pools.1,2 10-Thiastearic acid inhibits desaturation of radiolabeled stearate to oleate in rat hepatocytes and hepatoma cells by more than 80% at a concentration of 25 μM.3 This activity is associated with a hypolipidemic effect, making this 10-thiastearic acid a useful tool for evaluating new anti-obesity therapeutics.
Uses10-Thiastearic acid inhibits desaturation of stearate to oleate. 10-Thiastearic acid has hypolipidemic effect[1].
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Compound notes
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