Biotinamidohexanoic acid 3-sulfo-N-hydroxysuccinimide ester sodium salt - ≥95% , CAS No.127062-22-0

CAS: 127062-22-0 Cat. No.: B196187 Molecular Weight: 556.59 EC Number: 640-235-1

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1693977 | sulfosuccinimidyl-6-(biotinamido)hexanoate | Sulfo-NHS-LC Biotin | MFCD00078534 | Sodium 2,5-dioxo-1-((6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoyl)oxy)pyrrolidine-3-sulfonate | HY-D0799 | Sulfo-lc-

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SCHEMBL1693977 | sulfosuccinimidyl-6-(biotinamido)hexanoate | Sulfo-NHS-LC Biotin | MFCD00078534 | Sodium 2, 5-dioxo-1-((6-(5-((3aS, 4S, 6aR)-2-oxohexahydro-1H-thieno[3, 4-d]imidazol-4-yl)pentanamido)hexanoyl)oxy)pyrrolidine-3-sulfonate | HY-D0799 | Sulfo-lc-

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Primary amine reactive intermediate-length (22.4 angstroms) biotinylating reagent. Forms irreversible amide bonds. Negatively charged and membrane impermeable. Biotinylates cell surface proteins.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504772164
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772164
• Canonical Smiles: C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;1-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
• InChIKey: JJGWLCLUQNFDIS-GTSONSFRSA-M
• INCHI: 1S/C20H30N4O9S2.Na/c25-15(7-4-3-6-13-18-12(11-34-13)22-20(29)23-18)21-9-5-1-2-8-17(27)33-24-16(26)10-14(19(24)28)35(30,31)32;/h12-14,18H,1-11H2,(H,21,25)(H2,22,23,29)(H,30,31,32);/q;+1/p-1/t12-,13-,14?,18-;/m0./s1
• Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)N2.[Na+]
• Alternate CAS: 191671-46-2
• Molecular Weight: 556.59
• Reaxy-Rn: 15431118
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15431118&ln=

Taxonomic Classification

Taxonomy Tree

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

• 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 Pyrrolidine-2-ones N-acyl amines Imidazolidinones Thiophenes Thiolanes Sulfonyls Organosulfonic acids Alkanesulfonic acids Dicarboximides Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic cations
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Fatty acyl - Imidazolidinone - Fatty amide - Organosulfonic acid or derivatives - Pyrrolidine - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Thiophene - Thiolane - Organosulfonic acid - Sulfonyl - Imidazolidine - Dicarboximide - Urea - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Dialkylthioether - Thioether - Organic salt - Organic oxygen compound - Organic sodium salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic cation - 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

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

Chemical and Physical Properties

• Sensitivity: Light sensitive；Heat sensitive
• Molecular Weight: 556.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 556.127 Da
• Monoisotopic Mass: 556.127 Da
• Topological Polar Surface Area: 225.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 959.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Hu Liehai, Ren Ke, Li Yichang, Xia Yunhui, Chen Guijuan, Wang Xiaojian, Luo Chunyu, Sun Yun, Li Dongmei.  (2025)  Developmental exposure to methyl ester sulfonate induces autism-like behavioral deficits in mice by dysregulation of the Notch/Hes signaling pathway disrupting neuronal differentiation.  ARCHIVES OF TOXICOLOGY,      [PMID:40828199] [10.1007/s00204-025-04157-2]

2. Jiang Wenxin, Du Huanmin, Huang Xingjie, Lee Luke P., Chen Chia-Hung.  (2025)  Sensitive, high-throughput, metabolic analysis by molecular sensors on the membrane surface of mother yeast cells.  Nature Communications,  16  (1): (1-14).  [PMID:41057294] [10.1038/s41467-025-63964-4]