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Aβ1–42 aggregation inhibitor 3

CAT: 0013-GTR19263657-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263657-01Size:10 mg
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Description
Aβ1–42 aggregation inhibitor 3 (Compound 3b) is an inhibitor of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE), with IC50 values of 1.634 μM and 0.0285 μM, respectively. It effectively prevents the aggregation of Aβ1-42 and is applicable for Alzheimer's disease (AD) research.
CAS Number
32527-84-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[O-][N+] (C1=CC=C (C=C1) SC2=C (N) N (C3=CC=CC=C3) N=C2C) =O
Molecular Formula
C16H14N4O2S
Molecular Weight
326.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Methyl-4-(4-nitrophenyl)sulfanyl-2-phenylpyrazol-3-amine
CAS Number32527-84-7
PubChem CID2317975
IUPAC Name3-methyl-4-(4-nitrophenyl)sulfanyl-1-phenylpyrazol-5-amine
Molecular FormulaC16H14N4O2S
Molecular Weight326.4
XLogP3.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity405
SMILES
CC1=NN(C(=C1SC2=CC=C(C=C2)[N+](=O)[O-])N)C3=CC=CC=C3
InChI
InChI=1S/C16H14N4O2S/c1-11-15(23-14-9-7-13(8-10-14)20(21)22)16(17)19(18-11)12-5-3-2-4-6-12/h2-10H,17H2,1H3
InChIKey
YXPSKDWPGKXZED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-4-(4-nitrophenyl)sulfanyl-2-phenylpyrazol-3-amine
CAS: 32527-84-7
CID: 2317975
Formula: C16H14N4O2S
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass326.08374688
Monoisotopic Mass326.08374688
Topological Polar Surface Area115 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
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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