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BCTP

CAT: 0804-HY-117683Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-117683Size:1 Each
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Description
BCTP is a TRPV1 antagonist. BCTP activated at low pH showed functional antagonist activity against human TRPV1 in CHO cells (IC50=18 nM) . BCTP can be used in the study of chronic pain[1].
CAS Number
464152-46-3
UNSPSC
12352005
Target
TRP Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bctp.html
Smiles
O=C(C1=CC(C2=CC=C(C=C2)Cl)=C(N=C1N3)C(C)(C)C)NC3=S
Molecular Formula
C17H16ClN3OS
Molecular Weight
345.85
References & Citations
[1]Culshaw A J, et al. Identification and biological characterization of 6-aryl-7-isopropylquinazolinones as novel TRPV1 antagonists that are effective in models of chronic pain[J]. Journal of medicinal chemistry, 2006, 49 (2) : 471-474.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-tert-butyl-6-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CAS Number464152-46-3
PubChem CID9950097
IUPAC Name7-tert-butyl-6-(4-chlorophenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Molecular FormulaC17H16ClN3OS
Molecular Weight345.8
XLogP4.3
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity485
SMILES
CC(C)(C)C1=C(C=C2C(=N1)NC(=S)NC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN3OS/c1-17(2,3)13-11(9-4-6-10(18)7-5-9)8-12-14(19-13)20-16(23)21-15(12)22/h4-8H,1-3H3,(H2,19,20,21,22,23)
InChIKey
BOBBYBHJYYJHHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-tert-butyl-6-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CAS: 464152-46-3
CID: 9950097
Formula: C17H16ClN3OS
MW: 345.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.8
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass345.0702610
Monoisotopic Mass345.0702610
Topological Polar Surface Area86.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity485
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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