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ASN90

CAT: 0013-GTR19230223-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230223-01Size:25 mg
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Description
ASN90 is a potent and orally bioavailable O-GlcNAcase (OGA) inhibitor with an IC50 of 10.2 nM. It is a valuable research tool for investigating tau and α-synuclein pathology in cellular and animal models of neurodegenerative diseases such as Alzheimer's and Parkinson's.
CAS Number
1884154-02-2
Field of Research
Signal Transduction
Smiles
N (C (C) =O) C=1SC (=NN1) N2CCN ([C@@H] (C) C=3C=C4C (=CC3) OCO4) CC2
Molecular Formula
C17H21N5O3S
Molecular Weight
375.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-N-(5-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-1,3,4-thiadiazol-2-yl)acetamide
CAS Number1884154-02-2
PubChem CID118903008
IUPAC NameN-[5-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
Molecular FormulaC17H21N5O3S
Molecular Weight375.4
XLogP1.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity505
SMILES
C[C@@H](C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=NN=C(S4)NC(=O)C
InChI
InChI=1S/C17H21N5O3S/c1-11(13-3-4-14-15(9-13)25-10-24-14)21-5-7-22(8-6-21)17-20-19-16(26-17)18-12(2)23/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,23)/t11-/m0/s1
InChIKey
PLUUAFJXXNCXSD-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(5-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-1,3,4-thiadiazol-2-yl)acetamide
CAS: 1884154-02-2
CID: 118903008
Formula: C17H21N5O3S
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass375.13651072
Monoisotopic Mass375.13651072
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity505
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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