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Triplin

CAT: 0804-HY-120743-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120743-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Triplin is a copper chelator, Triplin perturbs copper ion transport involved in the interaction of RAN1 and ATX1. Triplin suppresses the toxic effects of excess copper ions on plant root growth. Triplin increases the RNA expression of ERF1. Triplin acts through the ethylene signal transduction pathway. Triplin also is a bacterial pore-former[1].
CAS Number
1421584-86-2
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/triplin.html
Smiles
FC(F)(OC1=C(NC(NC(C(N2CCOCC2)C3=CC=CS3)C)=S)C=CC=C1)F
Molecular Formula
C19H22F3N3O2S2
Molecular Weight
445.52
References & Citations
[1]Li W, et al. Triplin, a small molecule, reveals copper ion transport in ethylene signaling from ATX1 to RAN1. PLoS Genet. 2017 Apr 7;13 (4) :e1006703.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Triplin
CAS Number1421584-86-2
PubChem CID71778339
IUPAC Name1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-[2-(trifluoromethoxy)phenyl]thiourea
Molecular FormulaC19H22F3N3O2S2
Molecular Weight445.5
XLogP4
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity535
SMILES
CC(C(C1=CC=CS1)N2CCOCC2)NC(=S)NC3=CC=CC=C3OC(F)(F)F
InChI
InChI=1S/C19H22F3N3O2S2/c1-13(17(16-7-4-12-29-16)25-8-10-26-11-9-25)23-18(28)24-14-5-2-3-6-15(14)27-19(20,21)22/h2-7,12-13,17H,8-11H2,1H3,(H2,23,24,28)
InChIKey
BRAJYEOBULYXEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triplin
CAS: 1421584-86-2
CID: 71778339
Formula: C19H22F3N3O2S2
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass445.11055379
Monoisotopic Mass445.11055379
Topological Polar Surface Area106 Ų
Heavy Atom Count29
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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