≥96%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504772405 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772405 |
| Canonical Smiles | C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2 |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| InChIKey | PVEHVEYAPUNCCP-LNLFQRSKSA-N |
| INCHI | 1S/C20H36N6O6S/c21-26-23-6-8-30-10-12-32-14-13-31-11-9-29-7-5-22-18(27)4-2-1-3-17-19-16(15-33-17)24-20(28)25-19/h16-17,19H,1-15H2,(H,22,27)(H2,24,25,28)/t16-,17-,19-/m0/s1 |
| Isomeric SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2 |
| Molecular Weight | 488.6 |
| Reaxy-Rn | 57002781 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57002781&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 | Biotin and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biotin and derivatives |
| Alternative Parents | Thienoimidazolidines Imidazolidinones N-acyl amines Thiophenes Thiolanes Azo compounds Azo imides Ureas Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Biotin_derivative - Thienoimidazolidine - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Azo compound - Azo imide - Carboxamide group - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring. |
| External Descriptors | Not available |
| Sensitivity | Heat sensitive |
|---|---|
| Melt Point(°C) | 104 °C |
| Molecular Weight | 488.600 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 20 |
| Exact Mass | 488.242 Da |
| Monoisotopic Mass | 488.242 Da |
| Topological Polar Surface Area | 147.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 624.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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. Gan Lu, Jiang Qiwei, Huang Dong, Wu Xueji, Zhu Xinying, Wang Lei, Xie Wei, Huang Jialuo, Fan Runzhu, Jing Yihang, Tang Guihua, Li Xiang David, Guo Jianping, Yin Sheng. (2024) A natural small molecule alleviates liver fibrosis by targeting apolipoprotein L2. Nature Chemical Biology, [PMID:39103634] [10.1038/s41589-024-01704-3] |
| 2. Shaojun Pei, Wen Wang, Tingze Feng, Qiuping Wang, Yuhan Wang, Hong-Xu Liu, Xinmiao Liang, Hai-long Piao. (2025) S-palmitoylation of MTDH regulates ferroptosis resistance in breast cancer cell. JOURNAL OF LIPID RESEARCH, [PMID:41318030] [10.1016/j.jlr.2025.100953] |
| 3. Zikun Ma, Yuzhao Wang, Weikai Wang, Wanyang Sun, Rong Wang, Xue Ding, Zibin Chen, Xiangdong Li, Zhiyong Li, Yunlin Ye, Yize Mao, Jianhua Yin, Guibo Li, Rong-Rong He, Xiaoyu Liang, Zhuowei Liu. (2026) Lipid oxidation reprogramming in cancer-associated fibroblasts enhances CD8+ T cell cytotoxicity and therapeutic response. CANCER CELL, [PMID:41687608] [10.1016/j.ccell.2026.01.012] |
| 4. Jiaxin Zhou, Juan Liu, Xilin Liu, Lixia Ren, Zhilin Yu, Zhen Zheng, Gongyu Li. (2026) Clinically relevant stereochemistry reprograms amyloid proteome for aggregation cross-talk–conferred neuroprotection. Science Advances, 12 (13): [PMID:] [10.1126/sciadv.aeb2729] |
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