Description

This high-purity synthetic compound, (22S)-22-carboxy-1-((2,5-dioxo-1-pyrrolidinyl)oxy)-1,10,19,24-tetraoxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontan-41-oic acid (CAS: 1169630-40-3), is a specialized heterofunctional linker with a molecular formula of C₃₉H₆₆N₄O₁₅. Designed for precision conjugation in bioconjugation and crosslinking applications, it features a reactive N-hydroxysuccinimide (NHS) ester for amine coupling and carboxylic acid termini for further functionalization. Its extended polyethylene glycol (PEG)-based spacer arm enhances solubility and reduces steric hindrance, making it ideal for protein-protein or protein-small molecule conjugations. The compound is rigorously characterized by HPLC, MS, and NMR to ensure ≥95% purity, meeting stringent research standards for reproducibility. Packaged under inert conditions to maintain stability, it is suitable for in vitro diagnostics, drug delivery systems, and advanced material science.

Properties

• CAS Number: 1169630-40-3
• Complexity: 1220
• IUPAC Name: 18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoic acid
• InChI: InChI=1S/C39H66N4O15/c44-32(18-17-31(39(52)53)42-33(45)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-37(49)50)40-21-23-54-25-27-56-29-34(46)41-22-24-55-26-28-57-30-38(51)58-43-35(47)19-20-36(43)48/h31H,1-30H2,(H,40,44)(H,41,46)(H,42,45)(H,49,50)(H,52,53)/t31-/m0/s1
• InChI Key: DVGUZQKRMQLDDD-HKBQPEDESA-N
• Exact Mass: 830.45246741
• Molecular Formula: C39H66N4O15
• Molecular Weight: 831.0
• SMILES: C1CC(=O)N(C1=O)OC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O
• Topological: 263
• Monoisotopic Mass: 830.45246741
• Synonyms: 1169630-40-3, (22S)-22-carboxy-1-((2,5-dioxo-1-pyrrolidinyl)oxy)-1,10,19,24-tetraoxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontan-41-oic acid, (22s)-22-carboxy-1-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1,10,19,24-tetraoxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontan-41-oic acid, 815-717-1, 18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoic acid, 17-((S)-1-Carboxy-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propylcarbamoyl)-heptadecanoic acid, HO-STE-GLU(AEEA-AEEA-OSU)-OH, 26,29,35,38-TEtraoxa-18,23,32-triazanonatriacontane-1,19,39-tricarboxylic acid, 17,22,31-trioxo-, 39-(2,5-dioxo-1-pyrrolidinyl) ester, (19S)-, 18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid, MFCD32704903, starbld0048723, SCHEMBL433742, DVGUZQKRMQLDDD-HKBQPEDESA-N, 18-[[(1s)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoicacid, AS-79906, DB-385688, CS-0309894, P20666, 17-((S)-1-Carboxy-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonyl methoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propylcarbamoyl)-heptadecanoic acid, 17-((S)-1-carboxy-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethoxy)-ethoxy]-ethylcarbamoyl}-methoxy)-ethoxy]-ethylcarbamoyl}-propylcarbamoyl)-heptadecanoic acid, 17-((S)-1-Carboxy-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethoxy)ethoxy]-ethylcarbamoyl}-methoxy)-ethoxy]ethylcarbamoyl}propylcarbamoyl)-heptadecanoic acid, 17-((S)-1-carboxy-3-{2-[2-({2-[2-(2,5-dioxopyrrolidin-1-yloxycarbonylmethoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]-ethylcarbamoyl}propylcarbamoyl)heptadecanoic acid

This compound is widely used as a heterobifunctional crosslinker for coupling carboxylated biomolecules (e.g., antibodies, peptides) to amine-containing targets via its NHS ester moiety. Its extended hydrophilic PEG spacer minimizes aggregation, making it valuable for ADC (antibody-drug conjugate) development. The carboxylic acid termini enable further modification with EDC/NHS chemistry or click reactions. Commonly applied in bioconjugation workflows for ELISA, flow cytometry, and targeted therapeutics. Suitable for controlled surface functionalization in biosensor fabrication.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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