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TP-16

CAT: 0804-HY-143518-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-143518-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TP-16 is a novel and selective EP4 antagonist with an IC50 of 2.1 nM.
CAS Number
2332972-26-4
UNSPSC
12352005
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tp-16.html
Solubility
10 mM in DMSO
Smiles
C[C@@H](C1=CC=C(C=C1)C(O)=O)NC(C2=C(CC3=CC=C(C=C3)F)SC4=C2CCOC4)=O
Molecular Formula
C24H22FNO4S
Molecular Weight
439.50
References & Citations
[1]Lu W, et al. Reprogramming immunosuppressive myeloid cells facilitates immunotherapy for colorectal cancer. EMBO Mol Med. 2021 Jan 11;13 (1) :e12798.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EP

Chemical Information

4-[(1S)-1-[[2-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
CAS Number2332972-26-4
PubChem CID138670563
IUPAC Name4-[(1S)-1-[[2-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
Molecular FormulaC24H22FNO4S
Molecular Weight439.5
XLogP4.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity633
SMILES
C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(SC3=C2CCOC3)CC4=CC=C(C=C4)F
InChI
InChI=1S/C24H22FNO4S/c1-14(16-4-6-17(7-5-16)24(28)29)26-23(27)22-19-10-11-30-13-21(19)31-20(22)12-15-2-8-18(25)9-3-15/h2-9,14H,10-13H2,1H3,(H,26,27)(H,28,29)/t14-/m0/s1
InChIKey
TVZKMOZWGZUOHV-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 4-[(1S)-1-[[2-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
CAS: 2332972-26-4
CID: 138670563
Formula: C24H22FNO4S
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass439.12535752
Monoisotopic Mass439.12535752
Topological Polar Surface Area104 Ų
Heavy Atom Count31
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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