Synonym
BAY-218; BAY 218; BAY218; BAY-2335218; BAY 2335218; BAY2335218;
IUPAC/Chemical Name
(S)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
InChi Key
RFGRNBWAUZSMBN-LBPRGKRZSA-N
InChi Code
InChI=1S/C20H17ClFN3O3/c1-12(11-26)23-19(27)17-10-18(13-5-7-14(21)8-6-13)24-25(20(17)28)16-4-2-3-15(22)9-16/h2-10,12,26H,11H2,1H3,(H,23,27)/t12-/m0/s1
SMILES Code
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NN(C3=CC=CC(F)=C3)C1=O)N[C@@H](C)CO
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
>3 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
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
80.0 |
199.09 |
| Ethanol |
20.0 |
49.77 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
401.82
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: Chen Y, Lu Z, Li B, Wang H, Jiang T, Xuan M, Yang H, Chen J, Liu X, Liang H,
Liu Y, Tang H. Human CYP1B1 enzyme-mediated, AhR enhanced activation of
aflatoxin B1 for its genotoxicity in human cells. Toxicol Lett. 2023 Jan
15;373:132-140. doi: 10.1016/j.toxlet.2022.11.014. Epub 2022 Nov 25. PMID:
36442682.
2: Yang Z, Yu H, Tu H, Chen Z, Hu K, Jia H, Liu Y. Influence of aryl hydrocarbon
receptor and sulfotransferase 1A1 on bisphenol AF-induced clastogenesis in human
hepatoma cells. Toxicology. 2022 Apr 15;471:153175. doi:
10.1016/j.tox.2022.153175. Epub 2022 Apr 5. PMID: 35395335.
