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OAT-177

CAT: 0013-GTR19209814-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209814-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OAT-177 is a potent, selective, and orally bioavailable inhibitor of acidic mammalian chitinase (AMCase) . It is a valuable research tool for investigating the role of AMCase in preclinical models of asthma, allergic inflammation, and IL-13-mediated pathologies in both in vitro and in vivo studies.
CAS Number
1799548-33-6
Smiles
NC=1NC (N2CCC (N (CCC3=CC=C (Cl) C=C3) CC (C) C) CC2) =NN1
Molecular Formula
C19H29ClN6
Molecular Weight
376.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenethyl)-N-isobutylpiperidin-4-amine
CAS Number1799548-33-6
PubChem CID118165440
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-(2-methylpropyl)piperidin-4-amine
Molecular FormulaC19H29ClN6
Molecular Weight376.9
XLogP4.6
Topological Polar Surface Area74.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity407
SMILES
CC(C)CN(CCC1=CC=C(C=C1)Cl)C2CCN(CC2)C3=NNC(=N3)N
InChI
InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)
InChIKey
BADSWYIEDNZIEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenethyl)-N-isobutylpiperidin-4-amine
CAS: 1799548-33-6
CID: 118165440
Formula: C19H29ClN6
MW: 376.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight376.9
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass376.2142226
Monoisotopic Mass376.2142226
Topological Polar Surface Area74.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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