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MoTPS1-IN-1

CAT: 0013-GTR19219584-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219584-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MoTPS1-IN-1 (Compound j11) is a small molecule inhibitor of MoTPS1 that exhibits antifungal activity against Magnaporthe oryzae by targeting the Glu396 residue. It serves as a valuable research tool for studying fungal trehalose biosynthesis and has demonstrated efficacy in reducing pathogenicity in both in vitro and plant infection models.
CAS Number
2991072-02-5
Product Name Alternative
Fungal, MoTps1, MoTPS1IN1
Field of Research
Infectious Disease & Virology
Purity
99.28% (May vary between batches)
Solubility
DMSO:60 mg/mL (132.61 mM)
Smiles
FC (F) (F) C1=CC=C (C=C1) CN2CCC (NCC (O) COC3=CC=C4OCOC4=C3) CC2
Molecular Formula
C23H27F3N2O4
Molecular Weight
452.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MoTPS1-IN-1
CAS Number2991072-02-5
PubChem CID168510458
IUPAC Name1-(1,3-benzodioxol-5-yloxy)-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]propan-2-ol
Molecular FormulaC23H27F3N2O4
Molecular Weight452.5
XLogP3.6
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity566
SMILES
C1CN(CCC1NCC(COC2=CC3=C(C=C2)OCO3)O)CC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C23H27F3N2O4/c24-23(25,26)17-3-1-16(2-4-17)13-28-9-7-18(8-10-28)27-12-19(29)14-30-20-5-6-21-22(11-20)32-15-31-21/h1-6,11,18-19,27,29H,7-10,12-15H2
InChIKey
YYHGHFKFSCHTRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MoTPS1-IN-1
CAS: 2991072-02-5
CID: 168510458
Formula: C23H27F3N2O4
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass452.19229183
Monoisotopic Mass452.19229183
Topological Polar Surface Area63.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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