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ID-1101

Alias: 4OHIle; 4-OH-Ile; ID-1101
Cat No.:V22421 Purity: ≥98%
(2S,3R,4S)-4-Hydroxyisoleucine is an orally bioavailable active ingredient extracted from fenugreek and has anti-diabetic and anti-diabetic nephropathy activities.
ID-1101
ID-1101 Chemical Structure CAS No.: 55399-93-4
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
(2S,3R,4S)-4-Hydroxyisoleucine is an orally bioavailable active ingredient extracted from fenugreek and has anti-diabetic and anti-diabetic nephropathy activities.
ID-1101 (also known as (2S,3R,4S)-4-Hydroxyisoleucine) is a natural compound derived from fenugreek (Trigonella foenum-graecum) seeds. It is an orally bioavailable active ingredient with anti-diabetic and anti-diabetic nephropathy activities. ID-1101 is an insulinotropic agent that activates insulin signaling. It has been investigated as a potential treatment for type 2 diabetes and obesity. It is also known as 4-hydroxyisoleucine.
Biological Activity I Assay Protocols (From Reference)
Targets
ID-1101 targets insulin signaling pathways. It is an insulinotropic agent that activates insulin signaling in rat models. It acts as an insulin sensitizer. By enhancing insulin signaling, it improves glucose metabolism and may help manage type 2 diabetes. Its effects on insulin signaling have been demonstrated in various preclinical studies.
ln Vitro
ID-1101 is an insulinotropic agent that activates insulin signaling. It has been shown to have anti-diabetic and anti-diabetic nephropathy activities. Its activity has been confirmed in various in vitro and in vivo studies. As an insulin sensitizer, it improves glucose metabolism.
ln Vivo
ID-1101 has been investigated as a potential treatment for type 2 diabetes and obesity. It is an orally bioavailable compound that activates insulin signaling and improves glucose metabolism. Its anti-diabetic nephropathy activity suggests it may also protect against diabetic kidney disease. However, detailed clinical efficacy data is limited.
Enzyme Assay
The primary in vitro assays for ID-1101 involve measuring its effects on insulin signaling and glucose metabolism. Cells, such as hepatocytes or adipocytes, are treated with the compound, and the activation of insulin signaling pathways is assessed by measuring the phosphorylation of insulin receptor and downstream targets, such as AKT. Glucose uptake and metabolism are measured using radiolabeled glucose or other assays.
Cell Assay
In vitro cellular experiments for ID-1101 involve treating insulin-sensitive cells, such as hepatocytes, adipocytes, or muscle cells, with the compound. Its effects on insulin signaling, glucose uptake, and glycogen synthesis are assessed. The activation of the insulin receptor and downstream signaling molecules is measured by Western blot. Glucose uptake is measured using radiolabeled 2-deoxyglucose.
Animal Protocol
In vivo animal experiments for ID-1101 have been conducted in rat models. The compound is administered orally, and its effects on insulin signaling, glucose tolerance, and metabolic parameters are assessed. Its effects on diabetic nephropathy are evaluated by measuring markers of kidney function and damage. Its pharmacokinetic properties are also characterized.
ADME/Pharmacokinetics
ID-1101 has a molecular weight of 147.17 g/mol and a molecular formula of C6H13NO3. It is a small, water-soluble amino acid derivative. It is an orally bioavailable compound. It is typically used as a research reagent and is stored as a powder at -20°C for long-term stability. Its purity is typically ≥98%.
Toxicity/Toxicokinetics
ID-1101 is a research compound that is not intended for human use. Its toxicological profile is not extensively characterized in the available literature. As a natural compound derived from fenugreek, it is generally considered to have low toxicity. As with all research chemicals, standard safety precautions should be followed when handling.
References

[1]. Engineering a short-chain dehydrogenase/reductase for the stereoselective production of (2S,3R,4S)-4-hydroxyisoleucine with three asymmetric centers. Sci Rep. 2017 Oct 20;7(1):13703.

Additional Infomation
(4S)-4-hydroxy-L-isoleucine is a derivative of L-isoleucine, specifically L-isoleucine with a (4S)-hydroxy substituent. It is a plant metabolite. It is an amino alcohol, a derivative of L-isoleucine, and also a non-protein L-α-amino acid. It is a zwitterionic tautomer of (4S)-4-hydroxy-L-isoleucine. Hydroxyleucine has been reported to be present in fenugreek (Trigonella foenum-graecum), and relevant data are available. See also: Fenugreek seeds (partial).
ID-1101 ((2S,3R,4S)-4-Hydroxyisoleucine) is a natural compound derived from fenugreek seeds with anti-diabetic and anti-diabetic nephropathy activities. It is an orally bioavailable insulinotropic agent that activates insulin signaling. ID-1101 has been investigated as a potential treatment for type 2 diabetes and obesity. It is available from various chemical suppliers for research purposes.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C6H13NO3
Molecular Weight
147.174
Exact Mass
147.089
CAS #
55399-93-4
PubChem CID
6918732
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
331.6±32.0 °C at 760 mmHg
Melting Point
223-224℃
Flash Point
154.4±25.1 °C
Vapour Pressure
0.0±1.6 mmHg at 25°C
Index of Refraction
1.496
LogP
-0.44
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Heavy Atom Count
10
Complexity
126
Defined Atom Stereocenter Count
3
SMILES
C[C@@H]([C@H](C)O)[C@@H](C(=O)O)N
InChi Key
OSCCDBFHNMXNME-YUPRTTJUSA-N
InChi Code
InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1
Chemical Name
(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid
Synonyms
4OHIle; 4-OH-Ile; ID-1101
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
H2O : ~50 mg/mL (~339.74 mM)
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.7949 mL 33.9743 mL 67.9486 mL
5 mM 1.3590 mL 6.7949 mL 13.5897 mL
10 mM 0.6795 mL 3.3974 mL 6.7949 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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