| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Targets |
OATD-01 targets chitinase enzymes, specifically CHIT1 (chitotriosidase) and AMCase (acidic mammalian chitinase). It inhibits hCHIT1 with an IC50 of 26 nM and hAMCase with an IC50 of 9.0 nM. The compound shows excellent selectivity against a panel of other off-targets.
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| ln Vitro |
The inhibitory concentrations (Ki) of the four enzymes are 17.3 nM, 26.05 nM, 4.8 nM, and 5.7 nM, respectively, and OATD-01 has significant affinity for h/mCHIT1 and h/mAMCase [1]. The IC50 values of 23 nM, 28 nM, 9 nM, and 7.8 nM for hCHIT1, mCHIT1, hAMCase, and mAMCase, respectively, are in good correlation with these Ki values [1]. The external evaluation of the off-target effects of Eurofins Panlabs panlabs Compound OATD-01 was conducted in 98 in vitro binding and enzymatic experiments at 10 μM, involving proteins from several molecular classes [1].
OATD-01 potently inhibits human CHIT1 with an IC50 of 26 nM and human AMCase with an IC50 of 9.0 nM. The compound demonstrates excellent selectivity against a panel of other off-targets. It has strong anti-inflammatory and anti-fibrotic activity in preclinical models. |
| ln Vivo |
In an animal model of bleomycin-induced lung fibrosis, OATD-01 (oral gavage; 30 mg/kg, 100 mg/kg; once daily; 21 days) demonstrated a strong anti-fibrotic effectiveness.
In vivo, OATD-01 has demonstrated strong anti-inflammatory and anti-fibrotic activity in preclinical models of idiopathic pulmonary fibrosis (IPF) and sarcoidosis. It is orally active and has an excellent pharmacokinetic profile in multiple species. The compound shows significant antifibrotic efficacy in vivo. |
| Enzyme Assay |
In vitro enzyme assays measure the inhibition of chitinase activity using a fluorogenic substrate. OATD-01 is incubated with purified CHIT1 or AMCase, and the cleavage of the substrate is measured. The IC50 is determined from dose-response curves. Selectivity is confirmed by profiling against a panel of other enzymes.
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| Cell Assay |
In vitro cellular assays evaluate the effects of OATD-01 on macrophage-driven pathologies. Macrophages are treated with the compound, and markers of inflammation and fibrosis are measured. The compound's anti-inflammatory effects are assessed by measuring cytokine production and macrophage activation.
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| Animal Protocol |
Animal/Disease Models: Female balb/c (Bagg ALBino) mouse [1]
Doses: 30 mg/kg, 100 mg/kg Route of Administration: po (oral gavage); the degree of pulmonary fibrosis was finally achieved in this animal model to achieve treatment effects comparable to Nintedanib treatment [1]. 30 mg/kg, 100 mg/kg; one time/day; 21-day Experimental Results: diminished pulmonary fibrosis in the body[1] In vivo animal experiments are conducted in mouse models of idiopathic pulmonary fibrosis (IPF) and sarcoidosis. OATD-01 is administered orally at various doses. Lung fibrosis, inflammation, and disease progression are assessed by histology, bronchoalveolar lavage analysis, and biochemical markers. |
| ADME/Pharmacokinetics |
OATD-01 has a molecular formula of C19H27ClN6O and a molecular weight of 390.9. It is an orally bioavailable small molecule inhibitor. The compound has a CAS number of 2088453-21-6. It is soluble in DMSO. The compound has a purity of 99.9%.
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| Toxicity/Toxicokinetics |
The toxicity profile of OATD-01 is related to its mechanism as a chitinase inhibitor. The compound is designed to target macrophage-driven pathologies. Its safety profile has been evaluated in preclinical studies, and it has demonstrated an excellent PK profile with selectivity against off-targets.
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| References | |
| Additional Infomation |
OATD-01 is a first-in-class, orally active chitinase inhibitor being developed for the treatment of idiopathic pulmonary fibrosis (IPF) and sarcoidosis. It is also known as GLPG4716. The compound represents a novel therapeutic approach for fibrotic and inflammatory diseases.
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| Molecular Formula |
C19H27CLN6O
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|---|---|
| Molecular Weight |
390.910282373428
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| Exact Mass |
390.193
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| CAS # |
2088453-21-6
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| Related CAS # |
2088453-21-6;
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| PubChem CID |
126642132
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| Appearance |
White to off-white solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
27
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| Complexity |
469
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C[C@H]1CN([C@H](CO1)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N
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| InChi Key |
STWVLEKJQQRGMO-GUYCJALGSA-N
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| InChi Code |
InChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1
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| Chemical Name |
3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
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| Synonyms |
OATD-01OATD01OATD 01
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
DMSO : ~100 mg/mL (~255.81 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.40 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.40 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.40 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5581 mL | 12.7907 mL | 25.5813 mL | |
| 5 mM | 0.5116 mL | 2.5581 mL | 5.1163 mL | |
| 10 mM | 0.2558 mL | 1.2791 mL | 2.5581 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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