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Pico145

CAT: 0931-T16532-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16532-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628287-16-0
Target
TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9906
Bioactivity
Pico145 (HC-608) is a remarkable inhibitor of TRPC1/4/5 channels, specifically inhibiting () -englerin A-activated TRPC4/TRPC5 channels with IC50s of 0.349 and 1.3 nM in cells, while showing no effect on TRPC3, TRPC6, TRPV1, TRPV4, TRPA1, TRPM2, or TRPM8.
Smiles
Cn1c2nc(Oc3cccc(OC(F)(F)F)c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O
Molecular Formula
C23H20ClF3N4O5
Molecular Weight
524.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-[(4-Chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione

Zerencotrep is a small molecule drug. The usage of the INN stem '-cotrep' in the name indicates that Zerencotrep is a transient receptor potential canonical channel 5 (TRPC5) antagonist. Zerencotrep has a monoisotopic molecular weight of 524.11 Da.

CAS Number1628287-16-0
PubChem CID85473438
IUPAC Name7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]purine-2,6-dione
Molecular FormulaC23H20ClF3N4O5
Molecular Weight524.9
XLogP4.5
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity785
SMILES
CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC(=CC=C3)OC(F)(F)F)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3
InChIKey
PRJHEJGMSOBHTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[(4-Chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
CAS: 1628287-16-0
CID: 85473438
Formula: C23H20ClF3N4O5
MW: 524.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.9
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass524.1074319
Monoisotopic Mass524.1074319
Topological Polar Surface Area97.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity785
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

Alternative Products

CatalogName
BA7015-10Pico145
A13344-50Pico145 50mg
A13344-1Pico145 1mg
A13344-10Pico145 10mg
A13344-100Pico145 100mg
A13344-25Pico145 25mg
A13344-5Pico145 5mg
A13344-10mM-DPico145 10mM * 1mL in DMSO

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