Unii-T3B2aiz4BF

Unii-T3B2aiz4BF is a small organic compound featuring multifunctional aromatic and heterocyclic groups that influence molecular recognition. Researchers study its conformational flexibility, electronic distribution, and noncovalent interactions. The compound supports mechanistic exploration in chemical biology. Its physicochemical balance enables broad analytical evaluation.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
Unii-T3B2aiz4BF(CAS 934461-40-2)

CAT No: R2272

CAS No:934461-40-2

Synonyms/Alias:UNII-T3B2AIZ4BF;934461-40-2;T3B2AIZ4BF;POT-4;(Trp(me)4)-ac-compstatin;4(1MeW);AL-78898A;L-Threoninamide, N-acetyl-L-isoleucyl-L-cysteinyl-L-valyl-1-methyl-L-tryptophyl-L-glutaminyl-L-alpha-aspartyl-L-tryptophylglycyl-L-alanyl-L-histidyl-L-arginyl-L-cysteinyl-, cyclic (2->12)-disulfide;DA-77009;L-Threoninamide, N-acetyl-L-isoleucyl-L-cysteinyl-L-valyl-1-methyl-L-tryptophyl-L-glutaminyl-L-alpha-aspartyl-L-tryptophylglycyl-L-alanyl-L-histidyl-L-arginyl-L-cysteinyl-, cyclic (2-->12)-disulfide;

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M.F/Formula
C72H102N22O18S2
M.W/Mr.
1627.9
Sequence
One Letter Code:ICVXQDWGAHRCT
Three Letter Code:Ac-Ile-Cys(1)-Val-Trp(Me)-Gln-Asp-Trp-Gly-Ala-His-Arg-Cys(1)-Thr-NH2

Unii-T3B2aiz4BF is a unique biochemical compound identified by its distinctive UNII code, denoting a substance cataloged for research and laboratory applications. As a chemically defined entity, it serves as a valuable tool in various scientific investigations, particularly where precise molecular characteristics and reproducibility are essential. Its structural properties and functional groups may lend themselves to targeted studies in molecular biology, analytical chemistry, or biotechnological development. Researchers seeking to elucidate specific biochemical pathways or assess compound interactions often turn to such standardized agents due to their reliability and traceability in experimental workflows.

Analytical Method Development: In the realm of analytical chemistry, Unii-T3B2aiz4BF can be employed as a reference standard or analytical probe. Its well-characterized structure allows for the calibration of chromatographic systems, such as HPLC or LC-MS, facilitating the accurate quantification and identification of similar compounds within complex mixtures. By serving as a benchmark, it supports the validation of analytical methods, ensuring reproducibility and compliance with rigorous laboratory protocols in both academic and industrial settings.

Biochemical Assay Design: The compound's defined chemical identity makes it suitable for use in biochemical assays aimed at investigating enzyme activity, substrate specificity, or binding interactions. Researchers may utilize it as a substrate, inhibitor, or control molecule to probe enzymatic mechanisms or to screen for modulators of biochemical pathways. Its inclusion in assay development contributes to the generation of robust and interpretable data, advancing the understanding of molecular function and regulation.

Compound Screening and Profiling: Unii-T3B2aiz4BF is also applicable in high-throughput screening platforms designed to evaluate compound libraries for biological activity or interaction profiles. Its integration into screening protocols enables the assessment of selectivity, potency, or off-target effects of novel chemical entities. Such applications are particularly relevant in early-stage drug discovery, chemical genomics, or toxicological profiling, where reliable reference compounds are indispensable for comparative analysis.

Metabolite Identification Studies: In metabolomics and related fields, the compound can be leveraged as a tracer or comparative standard for the identification and quantification of structurally related metabolites. By providing a reference point in mass spectrometric or spectroscopic analyses, it aids researchers in distinguishing endogenous metabolites from exogenous substances, thereby enhancing the accuracy of metabolic pathway mapping and biomarker discovery efforts.

Chemical Synthesis Research: The defined nature of Unii-T3B2aiz4BF renders it valuable in chemical synthesis and method optimization studies. Synthetic chemists may use it as a starting material, intermediate, or reaction target to refine synthetic routes, validate product identity, or assess reaction efficiency. Its availability as a standardized compound supports the iterative development of novel synthetic methodologies and the exploration of new chemical space in research laboratories.

Through these varied applications, Unii-T3B2aiz4BF demonstrates its versatility as a research-use compound, supporting scientific progress across analytical, biochemical, and synthetic domains. Its integration into experimental workflows enables researchers to achieve greater accuracy, reproducibility, and insight in their investigations, reinforcing its role as a foundational resource in contemporary laboratory science.

InChI
InChI=1S/C72H102N22O18S2/c1-9-35(4)58(83-38(7)96)71(112)91-52-32-114-113-31-51(69(110)93-59(37(6)95)60(74)101)90-63(104)45(18-14-22-78-72(75)76)84-66(107)49(25-41-28-77-33-81-41)86-61(102)36(5)82-55(98)29-80-62(103)47(23-39-27-79-44-17-12-10-15-42(39)44)87-67(108)50(26-56(99)100)88-64(105)46(20-21-54(73)97)85-65(106)48(89-70(111)57(34(2)3)92-68(52)109)24-40-30-94(8)53-19-13-11-16-43(40)53/h10-13,15-17,19,27-28,30,33-37,45-52,57-59,79,95H,9,14,18,20-26,29,31-32H2,1-8H3,(H2,73,97)(H2,74,101)(H,77,81)(H,80,103)(H,82,98)(H,83,96)(H,84,107)(H,85,106)(H,86,102)(H,87,108)(H,88,105)(H,89,111)(H,90,104)(H,91,112)(H,92,109)(H,93,110)(H,99,100)(H4,75,76,78)/t35-,36-,37+,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-/m0/s1
InChI Key
WMEMLXDTLKSUOD-OGCOPIPOSA-N

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