IUPAC/Chemical Name
7-tert-Butyl-6-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
InChi Key
BOBBYBHJYYJHHQ-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
O=C(N1)C2=CC(C3=CC=C(Cl)C=C3)=C(C(C)(C)C)N=C2NC1=S
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
345.84
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Nash MS, McIntyre P, Groarke A, Lilley E, Culshaw A, Hallett A, Panesar M, Fox A, Bevan S. 7-tert-Butyl-6-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4 -one, a classic polymodal inhibitor of transient receptor potential vanilloid type 1 with a reduced liability for hyperthermia, is analgesic and ameliorates visceral hypersensitivity. J Pharmacol Exp Ther. 2012 Aug;342(2):389-98. doi: 10.1124/jpet.112.191932. Epub 2012 May 7. PubMed PMID: 22566669.
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4: Hamouda T, Hayes MM, Cao Z, Tonda R, Johnson K, Wright DC, Brisker J, Baker JR Jr. A novel surfactant nanoemulsion with broad-spectrum sporicidal activity against Bacillus species. J Infect Dis. 1999 Dec;180(6):1939-49. PubMed PMID: 10558951.
5: BCTP sounds its battle cry. Environ Health Perspect. 1999 Feb;107(2):A64-5. PubMed PMID: 10348630; PubMed Central PMCID: PMC1566347.
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