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INT-777 (INT777), a semisynthetic bile acid, is a novel and potent TGR5 agonist (bile acid receptor agonist) with an EC50 of 0.82 μM. It is able to mitigate inflammatory response in human endometriotic stromal cells and thus has therapeutic implication for endometriosis.
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| ln Vitro |
A novel, highly effective, and selective TGR5 agonist with notable in vivo activity is called INT-777 [1]. In a cAMP-dependent way, INT-777 (3 μM) boosts ATP synthesis in the human enteroendocrine cell line NCI-H716 [2]. Adding INT-777 (10 μM) to the serosal side of distal colon segments stripped of serosal tissue results in a decrease in Isc and an increase in TEER. In preparations of the muco-submucosa that were treated with TTX and neuron-free, the impact of INT-777 on basal secretion was diminished [3].
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| ln Vivo |
INT-777 (1 μM/min/kg, oral) is a strong choleretic that favors the biliary-hepatic shunt channel with ducts in HF-fed TGR5-Tg men. It also inhibits the activation and subsequent binding of carboxy-CoA [1]. When given to TGR5-Tg mice that are fed a high-fat diet, INT-777 (30 mg/kg/day) enhances energy expenditure and decreases obesity and hepatic steatosis [2].
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| Cell Assay |
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| References |
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| Molecular Formula |
C₂₇H₄₆O₅
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|---|---|
| Molecular Weight |
450.6511
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| Exact Mass |
450.335
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| CAS # |
1199796-29-6
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| Related CAS # |
INT-777 R-enantiomer;1198786-98-9
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| PubChem CID |
45483949
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| Appearance |
White to yellow solid powder
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| LogP |
4.33
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
32
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| Complexity |
710
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| Defined Atom Stereocenter Count |
13
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| SMILES |
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O
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| InChi Key |
NPBCMXATLRCCLF-IRRLEISYSA-N
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| InChi Code |
InChi Code
InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1
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| Chemical Name |
(2S,4R)-4-((3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylpentanoic
acid
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| Synonyms |
INT-777 S-EMCAINT 777 6-EMCAINT777
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
Ethanol :≥ 50 mg/mL (~110.95 mM)
DMSO : ≥ 31 mg/mL (~68.79 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.55 mM) (saturation unknown) in 10% EtOH + 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 EtOH 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.55 mM) (saturation unknown) in 10% EtOH + 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 EtOH 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.55 mM) (saturation unknown) in 10% EtOH + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 5 mg/mL (11.10 mM) in 0.5% CMC-Na/saline water (add these co-solvents sequentially from left to right, and one by one), Suspension solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2190 mL | 11.0951 mL | 22.1902 mL | |
| 5 mM | 0.4438 mL | 2.2190 mL | 4.4380 mL | |
| 10 mM | 0.2219 mL | 1.1095 mL | 2.2190 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.
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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