CAS 830-96-6|3-Indolepropionic acid
| Common Name | 3-Indolepropionic acid | ||
|---|---|---|---|
| CAS Number | 830-96-6 | Molecular Weight | 189.210 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 417.6±20.0 °C at 760 mmHg |
| Molecular Formula | C11H11NO2 | Melting Point | 134-135 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 206.4±21.8 °C |
Names
| Name | 3-(1H-indol-3-yl)propanoic acid |
|---|---|
| Synonym | More Synonyms |
3-Indolepropionic acid BiologicalActivity
| Description | 3-Indolepropionic acid is shown to be a powerful antioxidant and has potential in the treatment for Alzheimer’s disease. |
|---|---|
| Related Catalog | Natural Products >>Saccharides and GlycosidesResearch Areas >>Metabolic DiseaseResearch Areas >>Neurological Disease |
| Target | Human Endogenous Metabolite |
| In Vitro | 3-Indolepropionic acid is shown to be a powerful antioxidant and has potential in the treatment for Alzheimer’s disease[1]. 3-Indolepropionic acid is a more potent scavenger of hydroxyl radicals than melatonin. Similar to melatonin but unlike other antioxidants, 3-Indolepropionic acid scavenges radicals without subsequently generating reactive and pro-oxidant intermediate compounds[2]. It is also suggested that indolepropionic acid, a gut microbiota-produced metabolite, is a potential biomarker for the development of type 2 diabetes (T2D) that may mediate its protective effect by preservation of β-cell function[3]. |
| References | [1]. Wikoff WR, et al. Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites. Proc Natl Acad Sci U S A. 2009 Mar 10;106(10):3698-703. [2]. Reiter RJ, et al. Reactive oxygen intermediates, molecular damage, and aging. Relation to melatonin. Ann N Y Acad Sci. 1998 Nov 20;854:410-24. [3]. de Mello VDet al. Indolepropionic acid and novel lipid metabolites are associated with a lower risk of type 2 diabetes in the Finnish Diabetes Prevention Study. Sci Rep. 2017 Apr 11;7:46337. doi: 10.1038/srep46337. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 417.6±20.0 °C at 760 mmHg |
| Melting Point | 134-135 °C(lit.) |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.210 |
| Flash Point | 206.4±21.8 °C |
| Exact Mass | 189.078979 |
| PSA | 53.09000 |
| LogP | 1.76 |
| Vapour density | 2.1 (vs air) |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.667 |
| InChIKey | GOLXRNDWAUTYKT-UHFFFAOYSA-N |
| SMILES | O=C(O)CCc1c[nH]c2ccccc12 |
| Storage condition | −20°C |
| Water Solubility | slightly soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 34,138,1936
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S7-S16-S24/25-S26-S36/37-S37/39-S22 |
| RIDADR | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| RTECS | NT8050000 |
| HS Code | 29339990 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 3-Indolepropionic acid |
| MFCD00005660 |
| 1H-Indole-3-propanoic acid |
| 3-(1H-Indol-3-yl)propanoic acid |
| b-(3-Indolyl)propionic acid |
| Indole-3-propionic acid |
| EINECS 212-600-1 |
| 3-(1H-Indol-3-yl)propionic acid |
| IPA |
