3-Indolepropionic acid

Modify Date: 2025-08-20 10:36:43

3-Indolepropionic acid structure	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	Chinese USA	Flash Point	206.4±21.8 °C

Use of 3-Indolepropionic acid

3-Indolepropionic acid is shown to be a powerful antioxidant and has potential in the treatment for Alzheimer’s disease.

Name	3-(1H-indol-3-yl)propanoic acid
Synonym	More Synonyms

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 Glycosides Research Areas >> Metabolic Disease Research 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.

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
Storage condition	−20°C
Water Solubility	slightly soluble

3-Indolepropionic acid MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NM1329000

CHEMICAL NAME :: 1H-Indole-3-propionic acid

CAS REGISTRY NUMBER :: 830-96-6

BEILSTEIN REFERENCE NO. :: 0147733

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H11-N-O2

MOLECULAR WEIGHT :: 189.23

WISWESSER LINE NOTATION :: T56 BMJ D2VQ

HEALTH HAZARD DATA

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

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

Precursor 9
CAS#:120-72-9 Indole CAS#:79-10-7 Acrylic acid CAS#:10184-98-2 diethyl 2-(1H-i... CAS#:4361-05-1 Propanedioic ac...
CAS#:31529-28-9 4,6,6-TRIMETHYL... CAS#:109897-76-9 indobinine CAS#:85612-35-7 benzyl 3-indole... CAS#:10075-50-0 5-Bromoindole
CAS#:5457-31-8 1H-indol-3-ylme...
DownStream 10
CAS#:1050443-69-0 (S)-2-(TERT-BUT... CAS#:3569-21-9 3-Indolepropanol CAS#:141071-79-6 3-(1-Benzyl-1H-... CAS#:20401-90-5 1H-Indole-3-pro...
CAS#:219544-69-1 3-[1-[(4-fluoro... CAS#:2387-23-7 1,3-Dicyclohexylurea CAS#:60586-98-3 1-{[3-(1H-Indol... CAS#:3456-99-3 1H-Carbazol-1-o...
CAS#:6245-89-2 (1H-Indol-3-yl)... CAS#:5814-93-7 IPAM

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%

Metabolomics Approach Reveals Integrated Metabolic Network Associated with Serotonin Deficiency.

Sci. Rep. 5 , 11864, (2015)

Serotonin is an important neurotransmitter that broadly participates in various biological processes. While serotonin deficiency has been associated with multiple pathological conditions such as depre...

QSAR study on permeability of hydrophobic compounds with artificial membranes.

Bioorg. Med. Chem. 15 , 3756-67, (2007)

We previously reported a classical quantitative structure-activity relationship (QSAR) equation for permeability coefficients (P(app-pampa)) by parallel artificial membrane permeation assay (PAMPA) of...

Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K.

J. Med. Chem. 52 , 2786-93, (2009)

Human kynurenine aminotransferase I (hKAT I) catalyzes the formation of kynurenic acid, a neuroactive compound. Here, we report three high-resolution crystal structures (1.50-1.55 A) of hKAT I that ar...

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

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3-Indolepropionic acid

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