Basic information
- CAS
135784-48-4- Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCSCC(=O)O- InChIKey
GNWWFEVBHYESNK-UHFFFAOYSA-N- Molecular formula
- C17H28O2S
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.18100131
Overview
See also: (Farnesylthio)acetic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-(3,7,11-Trimethyldodeca-2,6,10-trienylthio)acetic acid
- IUPAC
- 2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)acetic acid
- English name
- FARNESYLTHIOACETIC ACID
- Molecular formula
- C17H28O2S
- Molecular weight
- 296.47
Names & synonyms
135784-48-4Bio1_001034CBiol_001770KBioGR_000054KBioSS_000054SCHEMBL1962463KBio2_000054KBio2_002622KBio2_005190KBio3_000107KBio3_000108DTXSID80929149
Show more names
FTAFARNESYLTHIOACETIC ACIDS-FARNESYLTHIOACETIC ACIDWOQGETCAETYBTQ-OQLLNIDSSA-NFarnesylthioacetic Acid (FTA)S Farnesyl Thioacetic Acid,SFarnesyl Thioacetic Acid(3,7,11,TRIMETHYL-2E,6E,10-DODECATRIENYL)THIOACETIC ACIDAcetic acid, 2-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]thio]-
Bio1_000056Bio1_000545Bio2_000054Bio2_000534Q271648192-(3,7,11-trimethyldodeca-2,6,10-trienylthio)acetic acid
Database identifiers
- CAS
135784-48-4- PubChem CID
- 3328
- DTXSID
DTXSID80929149
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 430.164 · 430.164±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Yellow viscous oil.
- pka
- 3.767 · 3.767±0.10(predicted)
- Sensitive
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
DescriptionS-Farnesyl thioacetic acid is an analog of S-farnesyl cysteine which behaves as a competitive inhibitor of isoprenylated protein methyltransferase (also known as S-adenosylmethionine-dependent methyltransferase). It can also inhibit methylation of both farnesylated and geranylgeranylated substrates.
UsesS-Farnesyl thioacetic acid is an analog of S-farnesyl cysteine, which is a prenylated protein methyltransferase (also known as S-adenosylmethionine-dependent methyltransferase) competitive inhibitors. It also inhibits the methylation of farnesylated and geranylgeranylated substrates.
Suppliers7 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Additional notes
DefinitionChEBI: 2-(3,7,11-trimethyldodeca-2,6,10-trienylthio)acetic acid is a sesquiterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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