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| | trans-3-Indoleacrylic acid Basic information |
| | trans-3-Indoleacrylic acid Chemical Properties |
| Melting point | 185 °C (dec.)(lit.) | | Boiling point | 321.94°C (rough estimate) | | density | 1.1963 (rough estimate) | | refractive index | 1.4900 (estimate) | | storage temp. | 2-8°C | | solubility | DMSO (Slightly), Methanol (Slightly) | | pka | 4.59±0.10(Predicted) | | form | powder | | color | white to light yellow | | Water Solubility | freely soluble | | BRN | 6317 | | Stability: | Stable under recommended storage conditions., Stable Under Recommended Storage C | | InChI | InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ | | InChIKey | PLVPPLCLBIEYEA-AATRIKPKSA-N | | SMILES | C(O)(=O)/C=C/C1C2=C(NC=1)C=CC=C2 | | CAS DataBase Reference | 29953-71-7(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | RTECS | NL3680000 | | HS Code | 2933998090 |
| | trans-3-Indoleacrylic acid Usage And Synthesis |
| Chemical Properties | LIGHT BROWN CRYSTALLINE POWDER | | Uses | trans-3-Indoleacrylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals. | | Application | trans-3-Indoleacrylic acid is a metabolite of tryptophan.
Chromophoric L-Trp analog used to probe the allosteric properties of the internal aldimine of tryptophan synthase. Also shown to be a moderate inhibitor of tryptophan synthase, trypothan-2,3-dioxygenase (TDO), indoleamine-2,3-dioxygenase (IDO), L-dopachrome isomerase and xanthine oxidase.
Reagent used as a matrix for MALDI-TOF mass spectroscopy in order to characterize and analyze polyphenols and synthetic polymers. | | Definition | ChEBI: trans-3-Indoleacrylic acid is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group. It is an alpha,beta-unsaturated monocarboxylic acid and a member of indoles. It derives from an acrylic acid. It is a conjugate acid of an (E)-3-(indol-3-yl)acrylate(1-). | | in vivo | Trans-3-Indoleacrylic acid (50 mg/kg, i.p., three times a week) promotes tumor development in HT29 tumor-bearing xenograft nu/nu mice [1]. | Animal Model: | HT29 tumor-bearing xenograft nu/nu mice[1] | | Dosage: | 50 mg/kg | | Administration: | Intraperitoneal injection, three times a week | | Result: | Promoted tumor growth with deficiency of AHR or FSP1. |
| | IC 50 | Microbial Metabolite |
| | trans-3-Indoleacrylic acid Preparation Products And Raw materials |
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