Home Other Building Blocks Oct-2-ynoic acid

Oct-2-ynoic acid

CAS No.:
5663-96-7
Catalog Number:
AG003HTT
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$99
- +
5g
1 week
United States
$214
- +
10g
1 week
United States
$387
- +
Product Description
Catalog Number:
AG003HTT
Chemical Name:
Oct-2-ynoic acid
CAS Number:
5663-96-7
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD00004364
IUPAC Name:
oct-2-ynoic acid
InChI:
InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)
InChI Key:
BQDKCWCMDBMLEH-UHFFFAOYSA-N
SMILES:
CCCCCC#CC(=O)O
EC Number:
227-121-3
UNII:
I7TMI3HR1Y
NSC Number:
75855
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
2-octynoic acid inhibits hepatitis C virus infection through activation of AMP-activated protein kinase. PloS one 20130101
The role of natural killer (NK) and NK T cells in the loss of tolerance in murine primary biliary cirrhosis. Clinical and experimental immunology 20120601
Toll-like receptors in liver fibrosis: cellular crosstalk and mechanisms. Frontiers in physiology 20120101
Electrophile-modified lipoic derivatives of PDC-E2 elicits anti-mitochondrial antibody reactivity. Journal of autoimmunity 20111101
The multi-hit hypothesis of primary biliary cirrhosis: polyinosinic-polycytidylic acid (poly I:C) and murine autoimmune cholangitis. Clinical and experimental immunology 20111001
Fibrosis in autoimmune and cholestatic liver disease. Best practice & research. Clinical gastroenterology 20110401
Innate immunity and primary biliary cirrhosis: activated invariant natural killer T cells exacerbate murine autoimmune cholangitis and fibrosis. Hepatology (Baltimore, Md.) 20110301
Active sensitization and contact allergy to methyl 2-octynoate. Contact dermatitis 20100201
Primary biliary cirrhosis. Seminars in immunopathology 20090901
Induction of autoimmune cholangitis in non-obese diabetic (NOD).1101 mice following a chemical xenobiotic immunization. Clinical and experimental immunology 20090301
Palladium-catalyzed decarboxylative coupling of alkynyl carboxylic acids and aryl halides. The Journal of organic chemistry 20090206
Loss of tolerance in C57BL/6 mice to the autoantigen E2 subunit of pyruvate dehydrogenase by a xenobiotic with ensuing biliary ductular disease. Hepatology (Baltimore, Md.) 20080801
Primary biliary cirrhosis. Orphanet journal of rare diseases 20080101
Identification of 2-nonynoic acid, a cosmetic component, as a potential trigger of primary biliary cirrhosis. Journal of autoimmunity 20060801
4,8-Dimethyldecanal, the aggregation pheromone of Tribolium castaneum, is biosynthesized through the fatty acid pathway. Journal of chemical ecology 20050601
Chemical xenobiotics and mitochondrial autoantigens in primary biliary cirrhosis: identification of antibodies against a common environmental, cosmetic, and food additive, 2-octynoic acid. Journal of immunology (Baltimore, Md. : 1950) 20050501
Frontalin: De novo biosynthesis of an aggregation pheromone component by Dendroctonus spp. bark beetles (Coleoptera: Scolytidae). Insect biochemistry and molecular biology 20030801
Properties