IUPAC/Chemical Name
N-[(3S)-1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]-2-pyridinyl]-3-piperidinyl]-N′-3-pyridinyl-thiourea
InChi Key
QSIQKTWTIMWDNS-HNNXBMFYSA-N
InChi Code
InChI=1S/C23H20Cl2F3N5O2S/c24-17-11-16(35-23(26,27)28)5-6-18(17)34-19-7-9-30-21(20(19)25)33-10-2-4-15(13-33)32-22(36)31-14-3-1-8-29-12-14/h1,3,5-9,11-12,15H,2,4,10,13H2,(H2,31,32,36)/t15-/m0/s1
SMILES Code
S=C(NC1=CC=CN=C1)N[C@@H]2CN(C3=NC=CC(OC4=CC=C(OC(F)(F)F)C=C4Cl)=C3Cl)CCC2
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
558.40
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: Ogasawara, D., Ichu, T.-A., Vartabedian, V.F., et al. Selective blockade of the lyso-PS lipase ABHD12 stimulates immune responses in vivo. Nat. Chem. Biol. 14(12), 1099-1108 (2018).
2: Ogasawara, D., Ichu, T.-A., Jing, H., et al. Discovery and optimization of selective and in vivo active inhibitors of the lysophosphatidylserine lipase α/β-hydrolase domain-containing 12 (ABHD12). J. Med. Chem. 62(3), 1643-1656 (2019).
3: Vartabedian, V. F. (2021). Modulation of Anti-viral and Anti-tumor Immune Responses through Chemical and Genetic Means. The Scripps Research Institute.
4: Kathman, S. G., Boshart, J., Jing, H., & Cravatt, B. F. (2020). Blockade of the lysophosphatidylserine lipase ABHD12 potentiates ferroptosis in cancer cells. ACS chemical biology, 15(4), 871-877.
