≥98%以上(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
2-8℃で保管、アルゴン充填 Ships 濡れた氷 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.
製品の説明
Smurf1-IN-A01(A01)は、ユビキチンリガーゼSmad ubiquitination regulatory factor-1(Smurf1)阻害剤で、kdは3.664 nMであり、Smurf1を介したSmad1/5の分解を阻害することによりBMP-2応答性を増加させる。
| パブケム・シド | 508810303 |
|---|---|
| カノニカル・スマイル | 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 |
| 異性体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 |
| 分子量 | 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 |
| 分類 | 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 |
| 説明 | 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 | 日付 | 商品 |
|---|---|---|---|
 C2322040 | Certificate of Analysis | Mar 03, 2023 | A287548 |
| C2322041 | Certificate of Analysis | Mar 03, 2023 | A287548 |
| C2322045 | Certificate of Analysis | Mar 03, 2023 | A287548 |
| C2322051 | Certificate of Analysis | Mar 03, 2023 | A287548 |
| C2322053 | Certificate of Analysis | Mar 03, 2023 | A287548 |
| C2322054 | Certificate of Analysis | Mar 03, 2023 | A287548 |
| 溶解度 | Solvent:DMSO, Max Conc. mg/mL: 51.29, Max Conc. mM: 100 |
|---|---|
| 感度 | light sensitive |
| 分子量 | 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] |
