Synonym
TR107; TR-107; TR 107
IUPAC/Chemical Name
3-[[3-[(4-chlorophenyl)methyl]-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
InChi Key
JNBDIOOOVLLTKQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H19ClN4O/c23-19-6-4-16(5-7-19)13-27-15-25-21-8-9-26(14-20(21)22(27)28)12-18-3-1-2-17(10-18)11-24/h1-7,10,15H,8-9,12-14H2
SMILES Code
N#CC1=CC=CC(CN(C2)CCC(N=CN3CC4=CC=C(Cl)C=C4)=C2C3=O)=C1
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
390.87
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: Vu TD, Jousse C, Pawlicki-Jullian N, Schiltz S, Nguyen TKO, Tran TLM, Bouquet
LA, Hehn A, Boitel-Conti M, Moussaron J, Biteau F, Assaf-Ducrocq C, Robin C,
Bourgaud F, Guckert A, Gontier E. Datura innoxia plants hydroponically-
inoculated with Agrobacterium rhizogenes display an enhanced growth and alkaloid
metabolism. Plant Sci. 2018 Dec;277:166-176. doi:
10.1016/j.plantsci.2018.09.001. Epub 2018 Sep 11. PMID: 30466582.
2: Zaleski RT, Qian H, Zelenka MP, George-Ares A, Money C. European solvent
industry group generic exposure scenario risk and exposure tool. J Expo Sci
Environ Epidemiol. 2014 Jan-Feb;24(1):27-35. doi: 10.1038/jes.2012.128. Epub
2013 Jan 30. PMID: 23361440; PMCID: PMC3941027.
