CAS 10018-94-7

S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate

Description:

The chemical substance known as S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate, with the CAS number 10018-94-7, is a complex organic compound characterized by its intricate structure that includes multiple functional groups such as amino, hydroxy, and phosphonate moieties. This compound is notable for its potential biological activity, particularly in the context of nucleoside analogs, which can influence nucleic acid metabolism. The presence of a purine base suggests possible interactions with nucleic acid synthesis or repair mechanisms. Its thioester functionality may also impart unique reactivity, making it of interest in synthetic and medicinal chemistry. The stereochemistry indicated by the (R) and (S) designations suggests that the compound exhibits chirality, which can significantly affect its biological interactions and pharmacological properties. Overall, this substance represents a fascinating area of study in the field of biochemistry and drug development.

Formula: C₂₉H₄₈N₇O₁₇P₃S

InChI: InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24+,28-/m1/s1

InChI key: InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-N

SMILES: O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(/C=C/CCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Synonyms:

• (2E)-Octenoyl-CoA
• 2,3-trans-Octenoyl coenzyme A
• 2-Trans octenoyl-CoA
• Coenzyme A, S-(2E)-2-octenoate
• Coenzyme A, S-2-octenoate, (E)-
• Oct-2-trans-enoyl-CoA
• Oct-trans-2-enoyl coenzyme A
• trans-Δ^2,3-Octenoyl-CoA
• trans-Δ2,3-Octenoyl-CoA
• trans-oct-2-enoyl-CoA
• S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate

Coenzyme A, S-(2E)-2-octenoate

CAS: 10018-94-7

Formula: C₂₉H₄₈N₇O₁₇P₃S

Molecular weight: 891.7144

Ref: IN-DA00016A

S-(2E)-2-Octenoate Coenzyme A Sodium Salt

Controlled Product

CAS: 10018-94-7

Stability Hygroscopic, Light Sensitive
Applications S-(2E)-2-Octenoate Coenzyme A Sodium Salt is used in biological study to identify and quantitate enoyl-acyl carrier protein reductase inhibitors.
References Yu, W. et al.: Ana. Bio., 474, 40-49, (2015)

Formula: C₂₉H₄₈N₇O₁₇P₃S·xNa

Color and Shape: Neat

Molecular weight: 913.7

Ref: TR-O965450

S-(2E)-2-Octenoate coenzyme A

CAS: 10018-94-7

S-2-Octenoate CoA is a natural ligand for the orphan G protein-coupled receptor GPR120. This ligand has been shown to activate AMPK and PPARα, leading to increased fatty acid oxidation and decreased lipid synthesis. Studies have shown that S-2-octenoate coenzyme A inhibits the production of inflammatory cytokines, such as IL-6, IL-1β, TNFα and IFNγ. It also inhibits the migration of leukocytes and platelets. The high purity of this ligand ensures minimal background interference in immunoassays.

Purity: Min. 95%

Molecular weight: 891.72 g/mol

Ref: 3D-ES175043