Synonym
Smurf1-IN-A01; Smurf1INA01; Smurf1 IN A01; Smurf1 inhibitor A01; Smurf1-inhibitor-A01; A01
IUPAC/Chemical Name
[4-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl][4-(5-methyl-1H-pyrazol-1-yl)phenyl]-methanone
InChi Key
QFYLTUDRXBNZFQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H20ClF3N4O3S/c1-15-8-9-27-30(15)17-4-2-16(3-5-17)21(31)28-10-12-29(13-11-28)34(32,33)18-6-7-20(23)19(14-18)22(24,25)26/h2-9,14H,10-13H2,1H3
SMILES Code
O=C(N1CCN(S(=O)(C2=CC=C(Cl)C(C(F)(F)F)=C2)=O)CC1)C3=CC=C(N4N=CC=C4C)C=C3
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
Biological target:
Smurf1-IN-A01 is a Smurf1 inhibitor (Kd = 3.67 nM).
In vitro activity:
Smurf1-IN-A01 inhibited Smurf1-mediated ubiquitination of Smad1/5 and increases Smad1/5 protein levels in C2C12 cells stimulated with BMP2 in a concentration-dependent manner. Smurf1-IN-A01 increased BMP2-induced mRNA expression of alkaline phosphatase (ALP), osteocalcin, and type-1 collagen in MC3T3-E1 mouse pre-osteoblasts.
Reference: Sci Rep. 2014 May 14;4:4965. https://pubmed.ncbi.nlm.nih.gov/24828823/
|
Solvent |
mg/mL |
mM |
comments |
| Solubility |
| DMF |
25.0 |
48.74 |
|
| DMSO |
15.0 |
29.24 |
|
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
512.93
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. Cao Y, Wang C, Zhang X, Xing G, Lu K, Gu Y, He F, Zhang L. Selective small molecule compounds increase BMP-2 responsiveness by inhibiting Smurf1-mediated Smad1/5 degradation. Sci Rep. 2014 May 14;4:4965. doi: 10.1038/srep04965. PMID: 24828823; PMCID: PMC4021816.
In vitro protocol:
1. Cao Y, Wang C, Zhang X, Xing G, Lu K, Gu Y, He F, Zhang L. Selective small molecule compounds increase BMP-2 responsiveness by inhibiting Smurf1-mediated Smad1/5 degradation. Sci Rep. 2014 May 14;4:4965. doi: 10.1038/srep04965. PMID: 24828823; PMCID: PMC4021816.
Peng, Z., Fang, W., Wu, B., He, M., Li, S., Wei, J., ... & Zhang, L. (2024). Targeting Smurf1 to block PDK1–Akt signaling in KRAS-mutated colorectal cancer. Nature Chemical Biology, 1-12.
Zhang, N., Yang, P., Li, Y., Ouyang, Q., Hou, F., Zhu, G., ... & Xu, A. (2024). Serum Iron Overload Activates the SMAD Pathway and Hepcidin Expression of Hepatocytes via SMURF1. Journal of Clinical and Translational Hepatology, 12(3), 227.
Li, F., Wang, H., Li, Y. Q., Gu, Y., & Jia, X. M. (2023). C-type lectin receptor 2d forms homodimers and heterodimers with TLR2 to negatively regulate IRF5-mediated antifungal immunity. Nature Communications, 14(1), 6718.
