Based on computational molecular docking studies, manninotriose is predicted to bind to human dihydrofolate reductase (DHFR) and thymidylate synthase (TS), which are key enzymes in the folate metabolism pathway and targets for acute lymphoblastic leukemia (ALL) treatment. The docking score for DHFR was 129.787 and for TS was 114.603. [2]

The susceptibility of manninotriose to enzymatic hydrolysis was tested. Manninotriose was found to be degraded by α-galactosidase but not by (vacuolar) invertase. This enzymatic profiling helped confirm its identity as a stachyose derivative lacking the terminal fructose. [1]
Detailed Protocol: Raffinose, stachyose, and manninotriose were subjected to enzymatic hydrolysis. Wheat vacuolar invertase and green coffee bean α-galactosidase were used as described in previous work. The degradation products were analyzed to determine substrate specificity. [1]

The pharmacokinetic properties of mannose trisaccharide were predicted using the ADMET computational method. The prediction results showed that the intestinal absorption level was expected to be 3 (very poor absorption). The solubility was expected to be 3 (good solubility). The plasma protein binding rate (PPB) was expected to be less than 90% (grade 0). [2]

The hepatotoxicity of mannose trisaccharide was predicted using the computational ADMET scheme. The prediction results showed that its hepatotoxicity level was 0 (non-toxic). [2]

[1]. Manninotriose is a major carbohydrate in red deadnettle (Lamium purpureum, Lamiaceae). Ann Bot. 2013 Mar;111(3):385-93.

[2]. Treatment of acute lymphoblastic leukemia from traditional chinese medicine. Evid Based Complement Alternat Med. 2014;2014:601064.

Manninotriose is a trisaccharide.
It has been reported that Manninotriose is present in Rehmannia glutinosa, and there is relevant data.

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Manninotriose (Galα1,6Galα1,6Glc) is a reducing trisaccharide that has been identified as the main water-soluble carbohydrate in the stems and roots of early spring purpureum. It is derived from the hydrolysis of stachyose (a raffinose family oligosaccharide, RFO) by β-fructosylase. [1]
Its accumulation pattern with stachyose and melibiose in different parts of the plant (roots, stems, leaves, veins) suggests that stachyose is the main transport sugar in the phloem, while Manninotriose is likely formed during transport. It is claimed that this compound may act as a temporary storage carbohydrate in the plant, like other RFOs and fructans, and may play the role of a membrane protectant and/or antioxidant. [1]
The compound was purified from plant stems and its structure was confirmed by nuclear magnetic resonance spectroscopy (1H, 13C, COSY, HSQC, HMBC, NOESY). [1]
This study mentions that other researchers (outside of this paper) have reported that mannose trisaccharide derivatives have antibacterial activity, and that the increase in its content in processed Rehmannia glutinosa roots is associated with the enhancement of the pharmacological activity of the extract. However, these are only cited as background information from other literature and are not the findings of this study. [1]
Mannotrisaccharide was identified as a potential traditional Chinese medicine candidate for the treatment of acute lymphoblastic leukemia (ALL) using a computer screening method. [2]
This study aimed to find compounds with lower toxicity than methotrexate (MTX). A virtual screening of a library of traditional Chinese medicine compounds was performed to detect their activity against dihydrofolate reductase (DHFR) and thymidine synthase (TS) proteins, and the results showed that mannose trisaccharide was among the best candidate compounds. [2]
Molecular docking analysis showed that mannose trisaccharide may form hydrogen bonds with Arg28 of DHFR and Arg50 of TS. [2]
Different QSAR models predicted different bioactivity (pIC50) of mannose trisaccharide to dihydrofolate reductase (DHFR): the multiple linear regression (MLR) model predicted 29.1034, the Bayesian network model predicted 5.1934, the support vector machine (SVM) model predicted 5.9247, the comparative molecular field analysis (CoMFA) model predicted 7.6470, and the comparative molecular similarity index analysis (CoMSIA) model predicted 6.2450 (EHDA model) and 5.3700 (EHA model). These values are model predictions and have not been experimentally determined. [2]
Contour plot analysis of three-dimensional QSAR models (CoMFA and CoMSIA) showed that the structure of mannose trisaccharide fits well with the steric hindrance and hydrophobic favorable region of the DHFR binding site, supporting its predicted biological activity. [2]
This study concludes that, based on calculated predictions of binding rate and low predicted hepatotoxicity, mannose trisaccharide, along with adenosine triphosphate, raffinose, and stachyose, may improve the side effects of methotrexate treatment for acute lymphoblastic leukemia (ALL). [2]

C18H32O16

504.4371

504.169

13382-86-0

Isomaltotriose;3371-50-4

5461026

White to off-white solid powder

1.8±0.1 g/cm3

952.8±65.0 °C at 760 mmHg

327.7±27.8 °C

0.0±0.6 mmHg at 25°C

1.652

-4.26

11

16

11

34

625

14

C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O

FZWBNHMXJMCXLU-YRBKNLIBSA-N

InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12-,13-,14-,15+,16+,17-,18-/m0/s1

(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

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 (~198.24 mM)
H2O : ~83.3 mg/mL (~165.13 mM)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.96 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 (4.96 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 (4.96 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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Solubility in Formulation 4: 100 mg/mL (198.24 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.

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