Synonym
TASP0376377, TASP 0376377, TASP-0376377
IUPAC/Chemical Name
1-[4-[(3,4-Dichlorobenzoyl)amino]benzoyl]-4-isoquinolineacetic acid
InChi Key
CSVJLKCBGGRRIQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31)
SMILES Code
O=C(C1=CC=C(Cl)C(Cl)=C1)NC2=CC=C(C(C3=NC=C(CC(O)=O)C4=C3C=CC=C4)=O)C=C2
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
479.31
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: Nishikawa-Shimono R, Sekiguchi Y, Koami T, Kawamura M, Wakasugi D, Watanabe K, Wakahara S, Kimura K, Yamanobe S, Takayama T. Isoquinoline derivatives as potent CRTH2 antagonists: design, synthesis and SAR. Bioorg Med Chem. 2013 Dec 15;21(24):7674-85. doi: 10.1016/j.bmc.2013.10.025. Epub 2013 Oct 30. PubMed PMID: 24216094.
2: Nishikawa-Shimono R, Sekiguchi Y, Koami T, Kawamura M, Wakasugi D, Watanabe K, Wakahara S, Matsumoto K, Takayama T. Isoquinoline derivatives as potent CRTH2 receptor antagonists: synthesis and SAR. Bioorg Med Chem Lett. 2012 May 1;22(9):3305-10. doi: 10.1016/j.bmcl.2012.03.009. Epub 2012 Mar 10. PubMed PMID: 22469703.
