DTXSID30745593

DTXSID30745593 denotes a registry-identified peptide-like small molecule used as a scaffold in bioactivity and binding studies. Functional groups are arranged to probe hydrogen bonding, hydrophobic contacts, and steric constraints. Researchers examine its conformational ensembles by spectroscopic and computational methods. Applications span early-stage hit validation, structure-activity exploration, and ligand-design optimization.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
DTXSID30745593(CAS 154040-19-4)

CAT No: R2566

CAS No:154040-19-4

Synonyms/Alias:154040-19-4;DTXSID30745593;PUBCHEM_71308637;CID 71308637;FN108723;Amyloid Protein Non-Abeta Component, >=80% (HPLC);

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M.F/Formula
C141H235N39O49
M.W/Mr.
3260.6
Sequence
One Letter Code:EQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFV
Three Letter Code:H-Glu-Gln-Val-Thr-Asn-Val-Gly-Gly-Ala-Val-Val-Thr-Gly-Val-Thr-Ala-Val-Ala-Gln-Lys-Thr-Val-Glu-Gly-Ala-Gly-Ser-Ile-Ala-Ala-Ala-Thr-Gly-Phe-Val-OH

DTXSID30745593 is a small-molecule compound catalogued in the DSSTox database, recognized for its structural specificity and relevance in environmental and toxicological research. As a chemically defined entity, it serves as a reference standard in analytical chemistry and is utilized for its unique physicochemical properties. Researchers frequently employ this compound in studies aimed at elucidating mechanisms of toxicity, environmental fate, and molecular interactions, making it a valuable tool in both academic and industrial laboratory settings. Its defined structure and documented properties enable precise experimental design, supporting a wide range of investigative and quality control applications.

Analytical reference standard: In analytical laboratories, DTXSID30745593 is frequently used as a calibration or quality control standard for chromatographic and spectrometric methods. Its well-characterized chemical profile allows scientists to validate instrument performance, optimize detection parameters, and ensure the accuracy of quantitative measurements. This is particularly important in environmental monitoring and regulatory compliance testing, where the reliability of analytical results is paramount for trace detection and compound identification.

Environmental fate studies: The compound plays a significant role in research focused on the environmental persistence, distribution, and degradation pathways of synthetic chemicals. By introducing DTXSID30745593 into controlled soil, water, or sediment matrices, investigators can monitor its transformation, adsorption, and bioavailability under various physicochemical conditions. These studies provide critical insights into the compound's mobility, potential for bioaccumulation, and long-term ecological impact, informing risk assessment and remediation strategies.

Toxicological mechanism investigations: DTXSID30745593 is employed in toxicological research to unravel the molecular mechanisms underlying its biological activity and potential adverse effects. Scientists utilize in vitro and in vivo models to assess its interactions with cellular targets, metabolic pathways, and gene expression profiles. Such studies contribute to hazard identification, prioritization of chemical risks, and the development of predictive toxicology models, supporting safer chemical design and regulatory decision-making.

Method development and validation: The compound is extensively used in the development and validation of novel analytical methods, including sample preparation techniques, extraction protocols, and detection workflows. Its inclusion in method validation ensures that new procedures are robust, reproducible, and applicable to real-world samples. This is particularly valuable for laboratories seeking to expand their analytical capabilities or comply with evolving testing requirements for environmental or industrial samples.

Comparative chemical assessment: DTXSID30745593 serves as a benchmark molecule in comparative studies aimed at evaluating the physicochemical and toxicological properties of structurally related compounds. By systematically comparing its behavior with that of analogues or transformation products, researchers can elucidate structure-activity relationships, inform chemical prioritization, and refine computational models. These comparative assessments are essential for advancing the understanding of chemical classes and guiding the development of safer, more sustainable materials.

InChI
InChI=1S/C141H235N39O49/c1-31-66(18)107(137(224)158-70(22)115(202)155-69(21)114(201)156-72(24)119(206)176-108(74(26)182)129(216)151-55-94(193)160-85(49-79-37-33-32-34-38-79)125(212)174-106(65(16)17)141(228)229)175-127(214)87(57-181)161-95(194)54-148-113(200)67(19)153-93(192)53-149-121(208)82(43-47-98(198)199)165-132(219)102(61(8)9)173-140(227)112(78(30)186)177-123(210)81(39-35-36-48-142)164-122(209)83(41-44-88(144)187)162-116(203)71(23)157-131(218)101(60(6)7)168-118(205)73(25)159-138(225)110(76(28)184)179-133(220)100(59(4)5)167-96(195)56-152-130(217)109(75(27)183)178-136(223)105(64(14)15)172-134(221)103(62(10)11)169-117(204)68(20)154-92(191)52-147-91(190)51-150-128(215)99(58(2)3)170-126(213)86(50-90(146)189)166-139(226)111(77(29)185)180-135(222)104(63(12)13)171-124(211)84(42-45-89(145)188)163-120(207)80(143)40-46-97(196)197/h32-34,37-38,58-78,80-87,99-112,181-186H,31,35-36,39-57,142-143H2,1-30H3,(H2,144,187)(H2,145,188)(H2,146,189)(H,147,190)(H,148,200)(H,149,208)(H,150,215)(H,151,216)(H,152,217)(H,153,192)(H,154,191)(H,155,202)(H,156,201)(H,157,218)(H,158,224)(H,159,225)(H,160,193)(H,161,194)(H,162,203)(H,163,207)(H,164,209)(H,165,219)(H,166,226)(H,167,195)(H,168,205)(H,169,204)(H,170,213)(H,171,211)(H,172,221)(H,173,227)(H,174,212)(H,175,214)(H,176,206)(H,177,210)(H,178,223)(H,179,220)(H,180,222)(H,196,197)(H,198,199)(H,228,229)/t66-,67-,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78+,80-,81-,82-,83-,84-,85-,86-,87-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-/m0/s1
InChI Key
GXGKRPSFRUFLPR-PKXGUHEISA-N

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