CAS 57710-57-3

(2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid

Description:

The chemical substance with the name "(2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid" and CAS number 57710-57-3 is a complex organic compound characterized by its unique spirocyclic structure, which includes a benzoxepin moiety and an oxirane ring. This compound features multiple stereocenters, contributing to its chiral nature, which can influence its biological activity and interactions. The presence of a carboxylic acid functional group suggests potential acidity and reactivity, particularly in forming esters or amides. The isopropyl group attached to the hexahydro framework may enhance lipophilicity, affecting solubility and permeability in biological systems. Overall, the structural complexity and functional groups present in this compound indicate potential applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation through experimental studies.

Formula: C₁₅H₂₀O₅

InChI: InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11-,12-,15-/m1/s1

InChI key: InChIKey=JESMSCGUTIEROV-RTWAVKEYSA-N

SMILES: O=C1[C@@]2([C@]3(CO3)CC[C@H](C(C)C)[C@]2(C=C(C(O)=O)CO1)[H])[H]

Synonyms:

• (2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid
• Avocettin
• Heptelidic acid
• Spiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid, 1,5a,6,7,8,9a-hexahydro-6-(1-methylethyl)-1-oxo-, [5aS-(5aα,6α,9β,9aβ)]-
• Spiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid, 1,5a,6,7,8,9a-hexahydro-6-(1-methylethyl)-1-oxo-, (2′S,5aS,6R,9aS)-

Heptelidic acid

CAS: 57710-57-3

Heptelidic acid

Purity: ≥95%

Molecular weight: 280.32g/mol

Ref: 54-BUP21665

Heptelidic acid

CAS: 57710-57-3

Heptelidic acid (Koningic acid) is a selective GAPDH inhibitor that suppresses etoposide-induced apoptosis in HL-60 cells.

Formula: C₁₅H₂₀O₅

Color and Shape: Solid

Molecular weight: 280.32

Ref: TM-T41305

Heptelidic acid

CAS: 57710-57-3

Formula: C₁₅H₂₀O₅

Purity: ≥ 97.0%

Color and Shape: White to off-white powder or solid

Molecular weight: 280.3

Ref: 7W-GL6923

Heptelidic acid

CAS: 57710-57-3

Heptelidic acid is a natural compound derived from the bark of the tree, "Heptelia verna". It is a type of sesquiterpene lactone that has been found to have anti-cancer properties. Heptelidic acid induces caspase-independent cell death by inhibiting mitochondrial membrane potential and controlling the expression of genes that are involved in energy metabolism. This compound also inhibits autophagy, which may be due to its ability to inhibit the transcriptional regulation of genes involved in this process.

Formula: C₁₅H₂₀O₅

Purity: Min. 95%

Molecular weight: 280.32 g/mol

Ref: 3D-HCA71057