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T-3364366

CAT: 0013-GTR19196383-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196383-02Size:2 mg
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Description
T-3364366 is a potent and selective thienopyrimidinone inhibitor of delta-5 desaturase (Δ5D), demonstrating low nanomolar IC50 values of 1.9 nM and 2.1 nM in HepG2 and RLN-10 cell assays, respectively. This small molecule is a valuable research tool for investigating fatty acid metabolism in models of metabolic and inflammatory diseases.
CAS Number
1356354-09-0
Product Name Alternative
T 3364366, T3364366, T-3364366, Δ5D
Field of Research
Metabolism Research
Purity
99.90% (May vary between batches)
Solubility
DMSO:45 mg/mL (101.47 mM) ;10% DMSO+90% Corn Oil:2 mg/mL (4.51 mM)
Smiles
CC (=O) NCCSc1nc2cscc2c (=O) n1-c1ccc (OCC (F) (F) F) cc1
Molecular Formula
C18H16F3N3O3S2
Molecular Weight
443.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-((4-Oxo-3-(4-(2,2,2-trifluoroethoxy)phenyl)-3,4-dihydrothieno[3,4-d]pyrimidin-2-yl)thio)ethyl)acetamide
CAS Number1356354-09-0
PubChem CID86685411
IUPAC NameN-[2-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]thieno[3,4-d]pyrimidin-2-yl]sulfanylethyl]acetamide
Molecular FormulaC18H16F3N3O3S2
Molecular Weight443.5
XLogP3.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity640
SMILES
CC(=O)NCCSC1=NC2=CSC=C2C(=O)N1C3=CC=C(C=C3)OCC(F)(F)F
InChI
InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)
InChIKey
BVRXQXNVDLUWMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((4-Oxo-3-(4-(2,2,2-trifluoroethoxy)phenyl)-3,4-dihydrothieno[3,4-d]pyrimidin-2-yl)thio)ethyl)acetamide
CAS: 1356354-09-0
CID: 86685411
Formula: C18H16F3N3O3S2
MW: 443.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass443.05851821
Monoisotopic Mass443.05851821
Topological Polar Surface Area125 Ų
Heavy Atom Count29
Formal Charge0
Complexity640
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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