Synonym
DS-1971a; DS1971a; DS 1971a; DS-1971; DS1971; DS 1971;
IUPAC/Chemical Name
5-chloro-2-fluoro-4-(((1S,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclohexyl)oxy)-N-(pyrimidin-4-yl)benzenesulfonamide
InChi Key
OJKONCJPCULNOW-DYVFJYSZSA-N
InChi Code
InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
SMILES Code
O=S(C1=CC(Cl)=C(O[C@@H]2[C@@H](C3=CC=NN3C)CCCC2)C=C1F)(NC4=NC=NC=C4)=O
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
Biological target:
DS-1971a is a potent, selective, and orally active NaV1.7 inhibitor, with IC50s of 22.8 and 59.4 nM for hNaV1.7 and mNaV1.7, respectively.
In vitro activity:
A highly potent, selective NaV1.7 inhibitor, DS-1971a, has been discovered. In preclinical studies, DS-1971a demonstrated highly potent selective in vitro profile with robust efficacy in vivo.
Reference: Xenobiotica. 2021 Sep;51(9):1060-1070. https://pubmed.ncbi.nlm.nih.gov/34330191/
In vivo activity:
A highly potent, selective NaV1.7 inhibitor, DS-1971a, has been discovered. In preclinical studies, DS-1971a demonstrated highly potent selective in vitro profile with robust efficacy in vivo.
Reference: Xenobiotica. 2021 Sep;51(9):1060-1070. https://pubmed.ncbi.nlm.nih.gov/34330191/
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
100.0 |
214.63 |
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
465.93
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 |
Formulation protocol:
1. Asano D, Shibayama T, Shiozawa H, Inoue SI, Shinozuka T, Murata S, Watanabe N, Yoshinari K. Evaluation of species differences in the metabolism of the selective NaV1.7 inhibitor DS-1971a, a mixed substrate of cytochrome P450 and aldehyde oxidase. Xenobiotica. 2021 Sep;51(9):1060-1070. doi: 10.1080/00498254.2021.1963009. Epub 2021 Aug 11. PMID: 34330191.
In vitro protocol:
1. Asano D, Shibayama T, Shiozawa H, Inoue SI, Shinozuka T, Murata S, Watanabe N, Yoshinari K. Evaluation of species differences in the metabolism of the selective NaV1.7 inhibitor DS-1971a, a mixed substrate of cytochrome P450 and aldehyde oxidase. Xenobiotica. 2021 Sep;51(9):1060-1070. doi: 10.1080/00498254.2021.1963009. Epub 2021 Aug 11. PMID: 34330191.
In vivo protocol:
1. Asano D, Shibayama T, Shiozawa H, Inoue SI, Shinozuka T, Murata S, Watanabe N, Yoshinari K. Evaluation of species differences in the metabolism of the selective NaV1.7 inhibitor DS-1971a, a mixed substrate of cytochrome P450 and aldehyde oxidase. Xenobiotica. 2021 Sep;51(9):1060-1070. doi: 10.1080/00498254.2021.1963009. Epub 2021 Aug 11. PMID: 34330191.
1: Tsuyoshi Shinozuka, Hiroyuki Kobayashi, Sayaka Suzuki, Kyosuke Tanaka, Narayan Karanjule, Noriyuki Hayashi, Toshifumi Tsuda, Eri Tokumaru, Masahiro Inoue, Kiyono Ueda, Hiroko Kimoto, Yuki Domon, Sakiko Takahashi, Kazufumi Kubota, Tomihisa Yokoyama, Akiko Shimizugawa, Ryuta Koishi, Chie Fujiwara, Daigo Asano, Tomoko Sakakura, Kiyoshi Takasuna, Yasuyuki Abe, Toshiyuki Watanabe, and Yutaka Kitano. Discovery of DS-1971a, a Potent, Selective NaV1.7 Inhibitor. Journal of Medicinal Chemistry Article ASAP. DOI: 10.1021/acs.jmedchem.0c00259
