CID 138991778

CID 138991778 is a small organic compound containing heteroaromatic and aliphatic elements that affect binding geometry and polarity. Researchers study its conformational profile, electronic landscape, and interaction potential with biomolecular targets. Its multifaceted scaffold facilitates mechanistic exploration. The compound's balanced composition supports varied analytical applications.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
CID 138991778(CAS 1453222-26-8)

CAT No: R2282

CAS No:1453222-26-8

Synonyms/Alias:1453222-26-8;CID 138991778;

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cGMP Peptide
  • Registration of APIs
  • CMC information required for an IND
  • IND and NDA support
  • Drug master files (DMF) filing
M.F/Formula
C155H256N48O40
M.W/Mr.
3432

CID 138991778 is a small-molecule biochemical compound characterized by its unique chemical structure and functional groups, which confer distinct physicochemical properties relevant to modern research applications. As a synthetic organic molecule cataloged by its PubChem Compound Identifier, it has garnered attention in the scientific community for its potential roles in chemical biology, assay development, and molecular mechanism studies. Its defined structure and reactivity profile make it a valuable resource for experimental workflows that require precise molecular tools for probing biological systems or optimizing methodological approaches.

Chemical probe development: The compound's structural features make it a candidate for use as a chemical probe in target identification and validation studies. By leveraging its affinity or reactivity toward specific biomolecules, researchers can employ it to interrogate protein-ligand interactions, elucidate binding sites, or map out signaling pathways. Such applications are fundamental in dissecting cellular mechanisms and in the early stages of drug discovery, where understanding the molecular basis of action is critical.

Assay optimization: In the context of high-throughput screening and analytical assay development, CID 138991778 serves as a reference molecule or control to calibrate detection systems and validate assay performance. Its physicochemical stability and defined reactivity allow it to be used in establishing assay sensitivity, selectivity, and reproducibility. This capability is particularly important in pharmaceutical and biochemical research environments where robust and reliable screening methods are essential for identifying candidate molecules or quantifying biological activity.

Chemical synthesis research: The compound's unique scaffold and functional groups can be exploited as a synthetic intermediate or building block in organic synthesis. Researchers may utilize it to construct more complex molecules, explore structure-activity relationships, or develop novel analogs for further study. Its versatility in synthetic chemistry supports the advancement of medicinal chemistry projects and the generation of compound libraries for downstream applications.

Mechanistic biochemistry: The molecule's chemical properties can facilitate mechanistic investigations into enzyme catalysis, reaction kinetics, or metabolic pathways. By introducing CID 138991778 into controlled biochemical systems, scientists can monitor its interaction with enzymes, cofactors, or other macromolecules, thereby gaining insights into reaction mechanisms or pathway modulation. Such studies contribute to a deeper understanding of fundamental biochemical processes and inform the rational design of future experimental strategies.

Analytical method development: The defined mass and spectral characteristics of this compound make it useful as a standard or calibrant in analytical chemistry. It can be incorporated into protocols for liquid chromatography, mass spectrometry, or spectroscopic analyses to assess instrument performance, optimize separation conditions, or validate quantitative measurements. Reliable analytical standards are crucial for ensuring data accuracy and reproducibility across a wide range of scientific disciplines, including metabolomics, environmental chemistry, and quality control laboratories.

Together, these application directions highlight the versatility and scientific value of CID 138991778 in contemporary research settings. By enabling precise chemical, biochemical, and analytical investigations, it supports the advancement of knowledge across multiple domains of the life and physical sciences. Its integration into experimental workflows underscores its importance as a tool for innovation and discovery in both academic and industrial laboratories.

InChI
InChI=1S/C155H256N48O40/c1-17-82(10)119(142(235)186-101(54-59-114(161)211)146(239)203-69-39-50-110(203)141(234)196-118(81(8)9)147(240)241)197-128(221)93(47-36-66-173-151(166)167)179-124(217)92(46-35-65-172-150(164)165)178-125(218)97(51-56-111(158)208)182-123(216)91(44-29-33-63-156)180-134(227)105(73-88-76-176-90-43-28-27-42-89(88)90)187-127(220)100(55-60-117(214)215)183-126(219)98(52-57-112(159)209)184-136(229)106(74-115(162)212)188-132(225)102(70-79(4)5)190-143(236)120(83(11)18-2)199-131(224)99(53-58-113(160)210)185-145(238)122(85(13)206)200-130(223)95(48-37-67-174-152(168)169)195-149(243)155(16)62-32-23-21-20-22-31-61-154(15,148(242)194-94(45-30-34-64-157)129(222)198-121(84(12)19-3)144(237)191-103(71-80(6)7)140(233)202-155)201-139(232)96(49-38-68-175-153(170)171)181-135(228)107(75-116(163)213)189-137(230)108(77-204)193-138(231)109(78-205)192-133(226)104(177-86(14)207)72-87-40-25-24-26-41-87/h20-21,24-28,40-43,76,79-85,91-110,118-122,176,204-206H,17-19,22-23,29-39,44-75,77-78,156-157H2,1-16H3,(H2,158,208)(H2,159,209)(H2,160,210)(H2,161,211)(H2,162,212)(H2,163,213)(H,177,207)(H,178,218)(H,179,217)(H,180,227)(H,181,228)(H,182,216)(H,183,219)(H,184,229)(H,185,238)(H,186,235)(H,187,220)(H,188,225)(H,189,230)(H,190,236)(H,191,237)(H,192,226)(H,193,231)(H,194,242)(H,195,243)(H,196,234)(H,197,221)(H,198,222)(H,199,224)(H,200,223)(H,201,232)(H,202,233)(H,214,215)(H,240,241)(H4,164,165,172)(H4,166,167,173)(H4,168,169,174)(H4,170,171,175)/b21-20+/t82-,83-,84-,85+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103?,104-,105-,106-,107-,108-,109-,110-,118-,119-,120-,121-,122-,154-,155-/m0/s1
InChI Key
SYHNQEAAZWGLKW-NKAAXDAHSA-N

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