≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Describtion:
Smurf1-IN-A01 (A01) is an ubiquitin ligase Smad ubiquitination regulatory factor-1 (Smurf1) inhibitor with a kd of 3.664 nM, which increases BMP-2 responsiveness by inhibiting Smurf1-mediated Smad1/5 degradation.
| Canonical Smiles | CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F |
|---|---|
| IUPAC Name | [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone |
| InChIKey | QFYLTUDRXBNZFQ-UHFFFAOYSA-N |
| 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 |
| Isomeric SMILES | CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F |
| Molecular Weight | 512.93 |
| Reaxy-Rn | 37382181 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37382181&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Trifluoromethylbenzenes Benzenesulfonamides Benzamides Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Piperazines Organosulfonamides Heteroaromatic compounds Sulfonyls Tertiary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organochlorides Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Trifluoromethylbenzene - Benzenesulfonamide - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - 1,4-diazinane - Piperazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2322053 | Certificate of Analysis | Jan 26, 2026 | A287548 |
| C2322051 | Certificate of Analysis | Jan 26, 2026 | A287548 |
| C2322041 | Certificate of Analysis | Jan 26, 2026 | A287548 |
| C2322040 | Certificate of Analysis | Jan 26, 2026 | A287548 |
| C2322045 | Certificate of Analysis | Jan 19, 2026 | A287548 |
| C2322054 | Certificate of Analysis | Jan 19, 2026 | A287548 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 51.29, Max Conc. mM: 100 |
|---|---|
| Sensitivity | light sensitive |
| Molecular Weight | 512.900 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 512.09 Da |
| Monoisotopic Mass | 512.09 Da |
| Topological Polar Surface Area | 83.900 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 824.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yu Bu-Yun, Yue De-Wei, Hou Ke-Xin, Ju Lu, Chen Hao, Ding Cong, Liu Zhen-Guo, Dai Yun-Qian, Bisoyi Hari Krishna, Guan Ying-Shi, Lu Wei-Bing, Li Cheng-Hui, Li Quan. (2022) Stretchable and self-healable spoof plasmonic meta-waveguide for wearable wireless communication system. Light-Science & Applications, 11 (1): (1-13). [PMID:36280662] [10.1038/s41377-022-01005-1] |
