(+)-Biotin-PEG₂-azide - ≥98% , CAS No.945633-30-7

CAS: 945633-30-7 Cat. No.: B122224 Formula: C₁₆H₂₈N₆SO₄ Peso molecolare: 400.5

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528752698
• Sorrisi canonici: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCN=[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-azidoethoxy)ethoxy]ethyl]pentanamide
• InChIKey: OVEZMVONEJMGLZ-YDHLFZDLSA-N
• INCHI: 1S/C16H28N6O4S/c17-22-19-6-8-26-10-9-25-7-5-18-14(23)4-2-1-3-13-15-12(11-27-13)20-16(24)21-15/h12-13,15H,1-11H2,(H,18,23)(H2,20,21,24)/t12-,13-,15-/m0/s1
• Isomeri SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCN=[N+]=[N-])NC(=O)N2
• Peso molecolare: 400.5
• Reaxy-Rn: 50740936
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50740936&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 400.500 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 400.189 Da
• Monoisotopic Mass: 400.189 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 531.000
• 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

Riferimenti

1. Li Qizhao, Jia Mutian, Song Hui, Peng Jun, Zhao Wei, Zhang Weifang.  (2024)  Astaxanthin Inhibits STING Carbonylation and Enhances Antiviral Responses.  JOURNAL OF IMMUNOLOGY,  212  (7): (1188-1195).  [PMID:38391298] [10.4049/jimmunol.2300306]

2. Tong Li, Wang Jie, Ma Yunjin, Wang Chunying, Fu Yue, Li Qi, Gao Chengjiang, Song Hui, Qin Ying, Zhao Chunyuan, Zhao Wei.  (2025)  Viruses hijack FPN1 to disrupt iron withholding and suppress host defense.  Nature Communications,  16  (1): (1-14).  [PMID:40595467] [10.1038/s41467-025-60031-w]

3. Jia Mutian, Qin Danhui, Zhao Chunyuan, Chai Li, Yu Zhongxia, Wang Wenwen, Tong Li, Lv Lin, Wang Yuanyuan, Rehwinkel Jan, Yu Jinming, Zhao Wei.  (2020)  Redox homeostasis maintained by GPX4 facilitates STING activation.  NATURE IMMUNOLOGY,  21  (7): (727-735).  [PMID:32541831] [10.1038/s41590-020-0699-0]