OATD-01
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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.


Chemical Structure

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OATD-01
CAS# 2088453-21-6

Theoretical Analysis

MedKoo Cat#: 555744
Name: OATD-01
CAS#: 2088453-21-6
Chemical Formula: C19H27ClN6O
Exact Mass: 390.19
Molecular Weight: 390.920
Elemental Analysis: C, 58.38; H, 6.96; Cl, 9.07; N, 21.50; O, 4.09

Price and Availability

Size Price Availability Quantity
5mg USD 150 Ready to ship
10mg USD 250 Ready to ship
25mg USD 450 Ready to ship
50mg USD 750 Ready to ship
100mg USD 1250 Ready to ship
200mg USD 1950 Ready to ship
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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

More Info:

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.

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 255.81

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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.

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