1,3-Propanediol does not have defined pharmacological receptor targets, as it is primarily a chemical intermediate and metabolite rather than a therapeutic agent. It exhibits substrate activity for certain alcohol dehydrogenases, including Geobacillus stearothermophilus DSM 2334 alcohol dehydrogenase (ADH) when expressed in Escherichia coli. The compound also serves as a substrate for 1,3-propanediol dehydrogenase in bacterial systems. No significant binding to receptors or enzymes in mammalian systems has been reported, and its primary interactions are metabolic rather than pharmacologically targeted.

1,3-Propanediol serves as a substrate for alcohol dehydrogenase enzymes in bacterial systems, with bioactivity parameters characterized by a Kcat/Km ratio of 1.71 /M/s, a Km value of 23,640,000 nM, and a Kcat value of 0.041 /s, measured in 50 mM HEPES buffer at pH 7.5 and 23°C using MTT dye-based Lineweaver-Burk plot analysis. The compound also acts as a substrate for 1,3-propanediol dehydrogenase. No significant pharmacological activities have been reported beyond its role as a metabolic intermediate and chemical building block.

1,3-Propanediol has oral activity and is well-absorbed when administered orally. In a 90-day study, 1,3-Propanediol (0-1000 mg/kg, i.g., daily) had no effects on clinical condition, body weights, body weight gains, food consumption, organ weights, hematology, or serum chemistry parameters of Crl:CD(SD)BR rats. Topical application of 1,3-Propanediol (5%, 10%, or 15% for 15 minutes, 2 or 8 hours) significantly improved skin hydration levels in human subjects, demonstrating its humectant properties. No specific pharmacological in vivo effects have been reported.

Substrate activity for alcohol dehydrogenase can be evaluated using enzymatic activity assays measuring NADH consumption or production spectrophotometrically at 340 nm. Kinetic parameters (Km, Kcat, and Kcat/Km) are determined via Lineweaver-Burk plot analysis using varying substrate concentrations in 50 mM HEPES buffer at pH 7.5 and 23°C. The compound's activity as a substrate for 1,3-propanediol dehydrogenase can be assessed using similar spectrophotometric methods. No receptor binding assays are performed with this compound, as it is not a pharmacologically active molecule with defined receptor targets.

1,3-Propanediol is not typically evaluated in cell-based pharmacological assays, as it is not a pharmacologically active compound with defined cellular targets. It may be used as a solvent or additive in cell culture media due to its low toxicity and water solubility. Its primary biological relevance in a cellular context is as a metabolite rather than a directly testable pharmacological agent. No specific cell-based activity assays have been established for this compound.

In vivo studies with 1,3-Propanediol primarily involve oral administration to evaluate its metabolic fate or toxicological profile. In a 90-day subchronic toxicity study, the compound was administered orally by gavage to three groups of 10 male and 10 female Crl:CD(SD)BR rats at dosage levels of 100, 300, and 1000 mg/kg/day. All animals survived to scheduled necropsy, and no effects were observed on clinical condition, body weights, food consumption, organ weights, hematology, or serum chemistry parameters. Topical application studies in humans have evaluated its skin hydration effects.

1,3-Propanediol is absorbed following oral administration and is metabolized through normal metabolic pathways for diols and alcohols. For the related compound 2-methyl-1,3-propanediol, rapid absorption via oral and dermal routes has been observed, with metabolism to 3-hydroxybutyrate and excretion in urine with a half-life of 3.6 hours. No detailed pharmacokinetic parameters are specifically reported for 1,3-propanediol itself. The compound has low potential for bioaccumulation and is readily metabolized and excreted.

Toxicity Summary
Identification and Uses: 1,3-Propanediol (PDO) is a colorless to pale yellow, high-viscosity liquid. It is primarily used in the production of polypropylene terephthalate (PTT) polymers, which are used in fibers and fabrics such as textiles, engineering thermoplastics, and monofilaments. PDO is also used in cosmetics and personal care products, engine coolants, and as a solvent for inkjet and screen printing inks. Human Exposure and Toxicity: In a reported case study, the body of a 45-year-old woman was found with a suicide note and two antifreeze containers. Analysis of bodily fluids collected from the deceased revealed an ethanol content of 58 mg/dL, but no suspected ethylene glycol was detected in the samples. However, an unusually high peak for the internal standard PDO was found in the samples. Gas chromatography-mass spectrometry confirmed the presence of PDO at a concentration of 445 mg/dL. Animal Studies: This study aimed to determine the potential effects of repeated inhalation of PDO in rats. Rats were exposed to PDO vapor or vapor/aerosol mixtures at concentrations of 0, 41, 650, or 1800 mg/m³ for 6 hours a day, 5 days a week, for 2 weeks (9 exposures in total). In vivo responses were observed or measured daily. No abnormal external responses were observed, and no deaths occurred. Clinicopathological (blood cell counts, serum chemistry parameters) and histopathological (gross pathology, organ weight, and histopathology) findings in the exposed rats were similar to those in the unexposed control group. The highest tested concentration of 1800 mg/m³ (the highest achievable concentration) in this study was determined as the no-observed effect level (NOEL). Inhalation of PDO vapor or vapor/aerosol mixtures did not appear to cause significant harm. PDO, with or without activation, was non-mutagenic to Salmonella Typhimurium strains TA1535, TA1537, TA98, TA100, and TA102. PDO was also non-mutagenic in the in vivo mouse micronucleus assay. Furthermore, PDO had a negative effect on inducing structural and numerical abnormalities in Chinese hamster V79 cells, with or without metabolic activation.

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Non-Human Toxicity Values
Oral LD50 in rats: 15 g/kg; Dermal LD50 in rabbits: > 20 g/kg; Oral LD50 in mice: 4773 mg/kg

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1,3-Propanediol has low toxicity. The oral LD50 in rats is approximately 10-15 g/kg, and the oral LD50 in mice is 4,773 mg/kg. The dermal LD50 in rabbits exceeds 20,000 mg/kg. Undiluted 1,3-propanediol causes mild transient skin irritation in rabbits. In a 90-day subchronic toxicity study in rats, the no-observed-effect level (NOEL) for systemic toxicity was 1000 mg/kg/day, the highest dose tested. The compound was non-mutagenic in Salmonella Typhimurium strains and in the in vivo mouse micronucleus assay. Inhalation studies in rats established a NOEL of 1800 mg/m³.

[1]. Glycerol fermentation by a new 1,3-propanediol-producing microorganism:Enterobacter agglomerans. Applied Microbiology and Biotechnology volume 43, pages786-793(1995).

[2]. Subchronic toxicity study of 1, 3-propanediol administered orally to rats. International journal of toxicology, 2000, 19(1): 27-32.

Propane-1,3-diol is the simplest member of the propane-1,3-diol family. Its structure is a propane molecule, with each methyl group having a hydrogen atom replaced by a hydroxyl group. It is a colorless, viscous, water-soluble liquid with a boiling point as high as 210°C. It can be used in the synthesis of certain polymers and is also used as a solvent and antifreeze. It is both a proton solvent and a metabolite. 1,3-Propanediol has been reported to be present in Arabidopsis thaliana, tomato (Solanum lycopersicum), and grape (Vitis vinifera), and relevant data exist. 1,3-Propanediol is a metabolite found or produced in Saccharomyces cerevisiae. See also: Propanediol (note moved here).

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1,3-Propanediol is a natural product and industrial chemical, not an approved pharmaceutical drug. It is primarily used as an intermediate in the production of polypropylene terephthalate (PTT) polymers for fibers and textiles. It is also used extensively in cosmetics and personal care products as a humectant and skin-conditioning agent, in engine coolants, and as a solvent for inkjet and screen printing inks. Its bio-based origin (produced via microbial fermentation of glycerol) makes it of significant interest for sustainable and green chemistry applications. The compound is not a therapeutic agent and no clinical trials have been conducted for this compound.

C3H8O2

76.09

76.052

504-63-2

1,3-Propanediol-d6;284474-77-7;1,3-Propanediol-d8;285978-25-8;1,3-Propanediol-d2;38645-14-6

10442

Colorless to light yellow liquid

1.052

214.4±0.0 °C at 760 mmHg

-32 °C

79.4±0.0 °C

0.0±0.9 mmHg at 25°C

1.434

-1.04

2

2

2

5

12.4

0

C(CO)CO

YPFDHNVEDLHUCE-UHFFFAOYSA-N

InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

propane-1,3-diol

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

DMSO: 100 mg/mL (1314.23 mM)

Solubility in Formulation 1: ≥ 2.5 mg/mL (32.86 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

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Solubility in Formulation 2: ≥ 2.5 mg/mL (32.86 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (32.86 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

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 (Please use freshly prepared in vivo formulations for optimal results.)