WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555744
CAS#: 2088453-21-6
Description: OATD-01, also known as GLPG 4716, is a potent and selective chitinase inhibitor for treatment of interstitial lung diseases. OATD-01 showed (hAMCase IC50=9nM, hCHIT1 IC50=26nM) significantly reduced lung fibrosis in the bleomycin-induced fibrosis model, comparably to nintedanib, as assessed by modified Ashcroft scoring. The anti-fibrotic activity of OATD-01 was associated with pharmacodynamic effect: plasma chitinolytic activity was significantly reduced in mice dosed with OATD-01 as compared to control group.
MedKoo Cat#: 555744
Name: OATD-01
CAS#: 2088453-21-6
Chemical Formula: C19H27ClN6O
Exact Mass: 390.1935
Molecular Weight: 390.92
Elemental Analysis: C, 58.38; H, 6.96; Cl, 9.07; N, 21.50; O, 4.09
Related CAS #: 2088453-21-6
Synonym: OATD-01; OATD 01; OATD01; GLPG 4716; GLPG 4716; GLPG4716;
IUPAC/Chemical Name: 5-[4-[(2S,5S)-5-[(4-Chlorophenyl)methyl]-2-methyl-4-morpholinyl]-1-piperidinyl]-1H-1,2,4-triazol-3-amine
InChi Key: STWVLEKJQQRGMO-GUYCJALGSA-N
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
SMILES Code: C[C@H]1CN(C2CCN(C3=NN=C(N)N3)CC2)[C@@H](CC4=CC=C(Cl)C=C4)CO1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
| Biological target: | OATD-01 is a selective chitinase inhibitor with low nanomolar activity toward CHIT1 (hCHIT1,IC50=23 nM) and shows excellect PK profile in multiple species |
| In vitro activity: | TBD |
| In vivo activity: | OATD-01 given orally once daily in a range of doses between 30 and 100 mg/kg showed significant antifibrotic efficacy in an animal model of bleomycin-induced pulmonary fibrosis. |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 100.0 | 255.81 |
The following data is based on the product molecular weight 390.92 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | 1. Koralewski R, Dymek B, Mazur M, Sklepkiewicz P, Olejniczak S, Czestkowski W, Matyszewski K, Andryianau G, Niedziejko P, Kowalski M, Gruza M, Borek B, Jedrzejczak K, Bartoszewicz A, Pluta E, Rymaszewska A, Kania M, Rejczak T, Piasecka S, Mlacki M, Mazurkiewicz M, Piotrowicz M, Salamon M, Zagozdzon A, Napiorkowska-Gromadzka A, Bartlomiejczak A, Mozga W, Dobrzański P, Dzwonek K, Golab J, Nowotny M, Olczak J, Golebiowski A. Discovery of OATD-01, a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis. J Med Chem. 2020 Dec 24;63(24):15527-15540. doi: 10.1021/acs.jmedchem.0c01179. Epub 2020 Oct 20. PMID: 33078933. |
| In vitro protocol: | 1. Koralewski R, Dymek B, Mazur M, Sklepkiewicz P, Olejniczak S, Czestkowski W, Matyszewski K, Andryianau G, Niedziejko P, Kowalski M, Gruza M, Borek B, Jedrzejczak K, Bartoszewicz A, Pluta E, Rymaszewska A, Kania M, Rejczak T, Piasecka S, Mlacki M, Mazurkiewicz M, Piotrowicz M, Salamon M, Zagozdzon A, Napiorkowska-Gromadzka A, Bartlomiejczak A, Mozga W, Dobrzański P, Dzwonek K, Golab J, Nowotny M, Olczak J, Golebiowski A. Discovery of OATD-01, a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis. J Med Chem. 2020 Dec 24;63(24):15527-15540. doi: 10.1021/acs.jmedchem.0c01179. Epub 2020 Oct 20. PMID: 33078933. |
| In vivo protocol: | 1. Koralewski R, Dymek B, Mazur M, Sklepkiewicz P, Olejniczak S, Czestkowski W, Matyszewski K, Andryianau G, Niedziejko P, Kowalski M, Gruza M, Borek B, Jedrzejczak K, Bartoszewicz A, Pluta E, Rymaszewska A, Kania M, Rejczak T, Piasecka S, Mlacki M, Mazurkiewicz M, Piotrowicz M, Salamon M, Zagozdzon A, Napiorkowska-Gromadzka A, Bartlomiejczak A, Mozga W, Dobrzański P, Dzwonek K, Golab J, Nowotny M, Olczak J, Golebiowski A. Discovery of OATD-01, a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis. J Med Chem. 2020 Dec 24;63(24):15527-15540. doi: 10.1021/acs.jmedchem.0c01179. Epub 2020 Oct 20. PMID: 33078933. |
