(3-Formyl-1-indolyl)acetic acid

CAS: 138423-98-0

Ref. 3D-FF49821

Product Information

• Name: (3-Formyl-1-indolyl)acetic acid
• Synonyms: 1-(Carboxymethyl)indole-3-carboxaldehydeIndole-N-acetic acid-3-carboxaldehyde
• Brand: Biosynth
• Description: (3-Formyl-1-indolyl)acetic acid is a small molecule that has been shown to inhibit the activity of various enzymes, including acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and histamine N-methyltransferase (HNMT). The crystal structure of (3-formyl-1-indolyl)acetic acid was determined by X-ray crystallography. The active conformation of the molecule was found to be a nonplanar chair conformation with a hydrogen bond acceptor at C8. This conformation is stabilized by a hydrogen bond donor at C7, which also creates an additional hydrogen bond acceptor at O2. These interactions stabilize the molecule in its active form. The docking studies showed that the ligand binds to AChE with high affinity, while binding to BChE and HNMT with lower affinity. The inhibition effects on these

Chemical properties

• Molecular weight: 203.19 g/mol
• Formula: C₁₁H₉NO₃
• Purity: Min. 95%
• Color/Form: Off-White Powder
• InChI: InChI=1S/C11H9NO3/c13-7-8-5-12(6-11(14)15)10-4-2-1-3-9(8)10/h1-5,7H,6H2,(H,14,15)
• InChI key: InChIKey=ZUUGBTJTGRTIFK-UHFFFAOYSA-N
• SMILES: O=Cc1cn(CC(=O)O)c2ccccc12