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1007647-73-5

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1007647-73-5 Structure

1007647-73-5 Structure
IdentificationBack Directory
[Name]

SMURF1 inhibitor A01
[CAS]

1007647-73-5
[Synonyms]

A01
Smurf1-IN-A01
SMURF1 inhibitor A01
SMURF1 inhibitor A01 - A01
A01 (Smurf1 inhibitor) >=98% (HPLC)
[4-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl][4-(5-methyl-1H-pyrazol-1-yl)phenyl]methanone
Methanone, [4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl][4-(5-methyl-1H-pyrazol-1-yl)phenyl]-
[Molecular Formula]

C22H20ClF3N4O3S
[MDL Number]

MFCD09320899
[MOL File]

1007647-73-5.mol
[Molecular Weight]

512.93
Chemical PropertiesBack Directory
[Boiling point ]

642.3±65.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO : 62.5 mg/mL (121.85 mM; Need ultrasonic)
[form ]

A crystalline solid
[pka]

0.80±0.10(Predicted)
[color ]

Light yellow to yellow
[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
[InChIKey]

QFYLTUDRXBNZFQ-UHFFFAOYSA-N
[SMILES]

O=S(C1=CC=C(Cl)C(C(F)(F)F)=C1)(N2CCN(C(C3=CC=C(N4N=CC=C4C)C=C3)=O)CC2)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

A01 is a microlmolecule inhibitor of negatively regulatory factor Smurf1 for promoting bone formation.
[Biological Activity]

A01 is a high affinity selective inhibitor of E3 ubiquitin-protein ligase Smurf1 (Smad ubiquitination regulatory factor-1) th at disturbs Smurf1-Smad1/5 interaction and blocks Smurf1 mediated Smad1/5 ubiquitination. A01 increases responsiveness to BMP-2 in myoblasts and osteoblasts.
[in vivo]

Smurf1-IN-A01 (10 μM, 2 μL, Injected into vitreous cavity by micro-syringe, single dose) alleviated retinal injury in retinal degeneration model mice[4].

Animal Model:retinal degeneration model mice[4]
Dosage:10 μM ,2μL
Administration:Injected into vitreous cavity by micro-syringe
Result:Reduced drusen-like spots. Resulted outer nuclear layers wider and straighter. Caused inner segment and outer segment hinge of photoreceptor cells disappeared. Down-regulated NLRP3 and inhibited IL-1β. Could decrease the death in NaIO3 retina.
[IC 50]

IL-1β; HSP90β; ERα
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

SMURF1 inhibitor A01(1007647-73-5)1HNMR
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