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OAT-1441

CAT: 0013-GTR19210073-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210073-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OAT-1441 is a potent and selective inhibitor of acid mammalian chitinase (hAMCase) . This small molecule tool compound is used in research to investigate the role of AMCase in pulmonary inflammation and fibrosis, enabling both in vitro biochemical and in vivo preclinical studies.
CAS Number
2088453-79-4
Smiles
C ([C@@H]1N (CC=2C (OC1) =CC=CC2) C3CCN (CC3) C=4NC (N) =NN4) C5=CC=C (Cl) C=C5
Molecular Formula
C23H27ClN6O
Molecular Weight
438.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-3-(4-(3-(4-Chlorobenzyl)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)piperidin-1-yl)-1H-1,2,4-triazol-5-amine
CAS Number2088453-79-4
PubChem CID126642082
IUPAC Name3-[4-[(3S)-3-[(4-chlorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
Molecular FormulaC23H27ClN6O
Molecular Weight439.0
XLogP4.6
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity568
SMILES
C1CN(CCC1N2CC3=CC=CC=C3OC[C@@H]2CC4=CC=C(C=C4)Cl)C5=NNC(=N5)N
InChI
InChI=1S/C23H27ClN6O/c24-18-7-5-16(6-8-18)13-20-15-31-21-4-2-1-3-17(21)14-30(20)19-9-11-29(12-10-19)23-26-22(25)27-28-23/h1-8,19-20H,9-15H2,(H3,25,26,27,28)/t20-/m0/s1
InChIKey
TYNJYIOCKJBQLY-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-(4-(3-(4-Chlorobenzyl)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)piperidin-1-yl)-1H-1,2,4-triazol-5-amine
CAS: 2088453-79-4
CID: 126642082
Formula: C23H27ClN6O
MW: 439.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.0
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass438.1934872
Monoisotopic Mass438.1934872
Topological Polar Surface Area83.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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