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TachypleginA

CAT: 0804-HY-114909Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-114909Size:1 Each
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Description
TachypleginA can inhibit the motility of T. gondii by binding directly and covalently to C58 of TgMLC1, thereby causing a decrease in the activity of the parasite's myosin motor[1].
CAS Number
331839-29-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Parasite
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/tachyplegina.html
Smiles
FC1=CC=C(C=C1)/C=C2CN(C/C(C\2=O)=C\C3=CC=C(C=C3)F)CCC
Molecular Formula
C22H21F2NO
Molecular Weight
353.41
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Leung JM, et al. Identification of T. gondii myosin light chain-1 as a direct target of TachypleginA-2, a small-molecule inhibitor of parasite motility and invasion. PLoS One. 2014;9 (6) :e98056. Published 2014 Jun 3.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-propylpiperidin-4-one
CAS Number331839-29-3
PubChem CID1848993
IUPAC Name(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-propylpiperidin-4-one
Molecular FormulaC22H21F2NO
Molecular Weight353.4
XLogP4.7
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity496
SMILES
CCCN1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C/C3=CC=C(C=C3)F)/C1
InChI
InChI=1S/C22H21F2NO/c1-2-11-25-14-18(12-16-3-7-20(23)8-4-16)22(26)19(15-25)13-17-5-9-21(24)10-6-17/h3-10,12-13H,2,11,14-15H2,1H3/b18-12+,19-13+
InChIKey
VIFODPVYCOAIJX-KLCVKJMQSA-N
Chemical Structure
2D Structure
2D structure of (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-propylpiperidin-4-one
CAS: 331839-29-3
CID: 1848993
Formula: C22H21F2NO
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass353.15912062
Monoisotopic Mass353.15912062
Topological Polar Surface Area20.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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