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OATD-01

CAT: 0804-HY-137464A-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137464A-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OATD-01 is a highly potent, first-in-class, orally active and selective chitinase inhibitor with low nanomolar activity toward CHIT1 (hCHIT1, IC50=23 nM) . OATD-01 shows excellect PK profile in multiple species and is selectivity against a panel of other off-targets. OATD-01 exhibits significant antifibrotic efficacy in vivo and can be used for pulmonary fibrosis (IPF) research[1].
CAS Number
2088453-21-6
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/oatd-01.html
Purity
99.94
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC1=NNC(N2CCC(N3C[C@H](C)OC[C@@H]3CC4=CC=C(Cl)C=C4)CC2)=N1
Molecular Formula
C19H27ClN6O
Molecular Weight
390.91
References & Citations
[1]Robert Koralewski, et al. 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.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-1H-1,2,4-triazol-3-amine
CAS Number2088453-21-6
PubChem CID126642132
IUPAC Name3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
Molecular FormulaC19H27ClN6O
Molecular Weight390.9
XLogP3.4
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity469
SMILES
C[C@H]1CN([C@H](CO1)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N
InChI
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
InChIKey
STWVLEKJQQRGMO-GUYCJALGSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-1H-1,2,4-triazol-3-amine
CAS: 2088453-21-6
CID: 126642132
Formula: C19H27ClN6O
MW: 390.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.9
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass390.1934872
Monoisotopic Mass390.1934872
Topological Polar Surface Area83.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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