CAS 138423-98-0

3-Formyl-1H-indole-1-acetic acid

Description:

3-Formyl-1H-indole-1-acetic acid is an organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features a formyl group (-CHO) and an acetic acid moiety (-COOH) attached to the indole framework, contributing to its reactivity and potential biological activity. It is typically a white to off-white solid and is soluble in polar solvents, reflecting its functional groups. The presence of both the aldehyde and carboxylic acid groups suggests that it can participate in various chemical reactions, such as condensation and esterification. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development. Its unique structure allows for potential interactions with biological targets, which could lead to applications in therapeutic contexts. As with many indole derivatives, it may also display fluorescence, adding to its utility in biochemical assays. Safety and handling precautions should be observed, as with all chemical substances.

Formula: C₁₁H₉NO₃

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: C(C(O)=O)N1C=2C(C(C=O)=C1)=CC=CC2

Synonyms:

• (3-Formyl-1-Indolyl)Acetic Acid
• (3-Formyl-1-indolyl)aceticacid
• (3-Formyl-Indol-1-Yl)-Acetic Acid
• (3-formyl-1H-indol-1-yl)acetic acid
• 1-Acetic Acid Indole-3-Carboxaldehyde
• 1H-Indole-1-acetic acid, 3-formyl-
• 2-(3-Formyl-1H-indol-1-yl)acetic acid
• 2-(3-Formylindol-1-yl)acetic acid
• 3-Formyl Indoleacetic Acid
• 3-Formyl-1H-indole-1-acetic acid
• 3-Formylindol-1-yl-Acetic Acid
• 3-Formylindole-1-Yl-Acetic Acid
• 3-Formylindole-N-acetic acid
• Chembrdg-Bb 4002661

1H-Indole-1-acetic acid, 3-formyl-

CAS: 138423-98-0

Formula: C₁₁H₉NO₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 203.1941

Ref: IN-DA00193N

Indole-n-acetic acid-3-carboxaldehyde

CAS: 138423-98-0

Indole-n-acetic acid-3-carboxaldehyde

Purity: 97%

Molecular weight: 203.19g/mol

Ref: 54-OR10208

3-Formylindol-1-yl-acetic acid

CAS: 138423-98-0

Formula: C₁₁H₉NO₃

Molecular weight: 203.20

Ref: 7W-GK1197

(3-Formyl-1-indolyl)acetic acid

CAS: 138423-98-0

(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

Formula: C₁₁H₉NO₃

Purity: Min. 95%

Color and Shape: Off-White Powder

Molecular weight: 203.19 g/mol

Ref: 3D-FF49821

(3-Formyl-indol-1-yl)-acetic acid

CAS: 138423-98-0

Formula: C₁₁H₉NO₃

Purity: 98%

Molecular weight: 203.197

Ref: 10-F031460