Smurf1-IN-A01

Alias: Smurf1 inhibitor A01; Smurf1-IN-A01; Smurf1-inhibitor-A01; Smurf1INA01; Smurf1 IN A01;
Cat No.:V4432 Purity: ≥98%
Smurf1-IN-A01is a novel, potent, high affinity and selective inhibitor of E3 ubiquitin-protein ligase Smurf1 (Smad ubiquitination regulatory factor-1) with Kd value of 3.7 nM.
Smurf1-IN-A01 Chemical Structure CAS No.: 1007647-73-5
Product category: E3 Ligase
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

Smurf1-IN-A01 is a novel, potent, high affinity and selective inhibitor of E3 ubiquitin-protein ligase Smurf1 (Smad ubiquitination regulatory factor-1) with Kd value of 3.7 nM. It disturbs Smurf1-Smad1/5 interaction and blocks Smurf1 mediated Smad1/5 ubiquitination. Smurf1-IN-A01 increases responsiveness to BMP-2 in myoblasts and osteoblasts. The ubiquitin ligase Smad ubiquitination regulatory factor-1 (Smurf1) negatively regulates bone morphogenetic protein (BMP) pathway by ubiquitinating certain signal components for degradation. Thus, it can be an eligible pharmacological target for increasing BMP signal responsiveness.

Biological Activity I Assay Protocols (From Reference)
Targets
Smurf1(Kd= 3.664 nM)
ln Vitro
In RAW264.7 cells stimulated by β-amylase, Smurf1-IN-A01 (10 μM, 30-60 min) foamy c-type lectin receptor 2d-mediated degradation of MyD88 [1]. In C3H10T1/2 cells, Smurf1-IN-A01 (10 μM, 24 h) decreases ALP activity and increases alizarin red staining [2]. In MCF-7 and T47D cells, Smurf1-IN-A01 (10 μM, 12 h) decreases ERα protein and ERE luciferase activity [3].
ln Vivo
In degeneration models, Smurf1-IN-A01 (10 μM, 2 μL, intravitreal microinjection, single-body medication) can amplify early damage [4].
Animal Protocol
Animal/Disease Models: Retinal degeneration model mouse [4]
Doses: 10 μM, 2μL
Route of Administration: Injection into the vitreous cavity through a micro syringe.
Experimental Results: Reduction of drusen-like spots. Resulting in a wider and straighter outer core layer. Resulting in the disappearance of the inner and outer segment hinges of photoreceptor cells. Downregulates NLRP3 and inhibits IL-1β. Can reduce NaIO3 retinal death.
References
[1]. Li F, et al. C-type lectin receptor 2d forms homodimers and heterodimers with TLR2 to negatively regulate IRF5-mediated antifungal immunity [J]. Nature Communications, 2023, 14(1): 6718.
[2]. Qu M, et al. HSP90β chaperoning SMURF1-mediated LATS proteasomal degradation in the regulation of bone formation [J]. Cellular Signalling, 2023, 102: 110523.
[3]. Yang H, et al. SMURF1 facilitates estrogen receptor ɑ signaling in breast cancer cells [J]. Journal of experimental & clinical cancer research, 2018, 37(1): 1-12.
[4]. Li D, et al. Smurf1: A possible therapeutic target in dry age-related macular degeneration [J]. Experimental Eye Research, 2023, 233: 109549.
[5]. Cao Y, et al. Selective small molecule compounds increase BMP-2 responsiveness by inhibiting Smurf1-mediated Smad1/5 degradation. Sci Rep. 2014 May 14;4:4965.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C22H20CLF3N4O3S
Molecular Weight
512.932413101196
Exact Mass
512.09
Elemental Analysis
C, 51.52; H, 3.93; Cl, 6.91; F, 11.11; N, 10.92; O, 9.36; S, 6.25
CAS #
1007647-73-5
Appearance
Solid powder
SMILES
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
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
Chemical Name
[4-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl][4-(5-methyl-1H-pyrazol-1-yl)phenyl]-methanone
Synonyms
Smurf1 inhibitor A01; Smurf1-IN-A01; Smurf1-inhibitor-A01; Smurf1INA01; Smurf1 IN A01;
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : 62.5~100 mg/mL ( 121.85~194.95 mM )
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.9496 mL 9.7479 mL 19.4958 mL
5 mM 0.3899 mL 1.9496 mL 3.8992 mL
10 mM 0.1950 mL 0.9748 mL 1.9496 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
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Biological Data
  • Smurf1-IN-A01


    Primary selection of potential bio-active compounds.(a) Determination of the efficacy of various selected compounds of enhancing BMP induced ALP activity.(b) Chemical structures of A01 and A17.2014 May 14;4:4965.

  • Smurf1-IN-A01


    Selective compounds stabilize Smad1/5 protein level.2014 May 14;4:4965.

  • Smurf1-IN-A01


    Selective compounds impair Smurf1-mediated Smad1/5 degradation.2014 May 14;4:4965.

  • Smurf1-IN-A01


    Selective compounds enhance BMP-2 signaling responsiveness.

    Smurf1-IN-A01

    Predicted binding modes of selective compounds to the defined pocket.2014 May 14;4:4965.

  • Smurf1-IN-A01


    Selective compounds potentiate BMP-2 induced osteoblastic activity.2014 May 14;4:4965.

  • Smurf1-IN-A01


    Binding pocket definition andin silicoscreening.a) Refined structure of the Smurf1 WW1 domain bound to the diphosphorylated (pS210/pS214) region of the Smad1 linker. (b) Refined structure of the Smurf1 WW1 domain bound to the monophosphorylated (pS214) region of the Smad1 linker. (c) Receptor model of the Smurf1 WW1 domain (multiple colored) and diphosphorylated (pS210/pS214) region of the Smad1 linker (yellow). (d) Workflow ofin silicoscreening.

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