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Includes: HPLC, MASS/LC-MS, 1H NMR, FT-IR, Potency, Structure Elucidation Report (SER), and additional analytical data depending on the product.

Des-[His-Aib] Semaglutide

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Catalogue No.:	VE0025112
CAS No.:	N/A
Mol. Formula:	C177H277N41O57
Mol. Weight:	3891.40 g/mol

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Additional information on Des-[His-Aib] Semaglutide

Parent drug

Semaglutide

IUPAC Name

(3S, 9S, 12S, 15S, 18S, 21S, 24S, 27S, 30S, 33S, 36S, 39S, 45S, 48S, 51S, 54S, 81R)-54-(((6S, 12S, 15S, 18S, 21S, 24S, 27S, 30S, 33S)-21-((1H-indol-3-yl)methyl)-1-amino-30-benzyl-27-((S)-sec-butyl)-35-carboxy-6-((carboxymethyl)carbamoyl)-12-(3-guanidinopropyl)-1-imino-18-isobutyl-15-isopropyl-24-methyl-8, 11, 14, 17, 20, 23, 26, 29, 32-nonaoxo-2, 7, 10, 13, 16, 19, 22, 25, 28, 31-decaazapentatriacontan-33-yl)carbamoyl)-3-amino-45-(3-amino-3-oxopropyl)-12-benzyl-39-(2-carboxyethyl)-21-(carboxymethyl)-33-(4-hydroxybenzyl)-9, 15-bis((R)-1-hydroxyethyl)-18, 27, 30-tris(hydroxymethyl)-36-isobutyl-24-isopropyl-48, 51-dimethyl-4, 7, 10, 13, 16, 19, 22, 25, 28, 31, 34, 37, 40, 43, 46, 49, 52, 60, 69, 78, 83-henicosaoxo-62, 65, 71, 74-tetraoxa-5, 8, 11, 14, 17, 20, 23, 26, 29, 32, 35, 38, 41, 44, 47, 50, 53, 59, 68, 77, 82-henicosaazanonanonacontane-1, 81, 99-tricarboxylic acid

Pharmacopoeial Synonyms

N/A

Other Synonyms

N/A

Smiles

O=C(CC[C@H](N)C(NCC(N[C@@H]([C@H](O)C)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H]([C@H](O)C)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(NCC(N[C@@H](CCC(N)=O)C(N[C@@H](C)C(N[C@@H](C)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C)C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@H](C(NCC(O)=O)=O)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCCCNC(COCCOCCNC(COCCOCCNC(CC[C@H](C(O)=O)NC(CCCCCCCCCCCCCCCCC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)O

InChI

InChI=1S/C177H277N41O57/c1-16-100(10)147(172(267)196-103(13)152(247)204-126(84-109-86-189-113-48-38-37-47-111(109)113)162(257)206-122(80-97(4)5)163(258)215-145(98(6)7)170(265)203-115(51-42-70-188-177(182)183)155(250)191-87-134(228)197-114(50-41-69-187-176(180)181)154(249)193-90-144(243)244)217-164(259)124(81-106-43-31-29-32-44-106)207-159(254)119(62-67-142(239)240)202-158(253)116(49-39-40-68-184-137(231)94-274-77-76-273-74-72-186-138(232)95-275-78-75-272-73-71-185-132(226)64-60-120(175(270)271)199-133(227)52-35-27-25-23-21-19-17-18-20-22-24-26-28-36-53-139(233)234)200-151(246)102(12)194-150(245)101(11)195-157(252)118(59-63-131(179)225)198-135(229)88-192-156(251)117(61-66-141(237)238)201-160(255)121(79-96(2)3)205-161(256)123(83-108-54-56-110(224)57-55-108)208-167(262)128(91-219)211-169(264)130(93-221)212-171(266)146(99(8)9)216-166(261)127(85-143(241)242)209-168(263)129(92-220)213-174(269)149(105(15)223)218-165(260)125(82-107-45-33-30-34-46-107)210-173(268)148(104(14)222)214-136(230)89-190-153(248)112(178)58-65-140(235)236/h29-34, 37-38, 43-48, 54-57, 86, 96-105, 112, 114-130, 145-149, 189, 219-224H, 16-28, 35-36, 39-42, 49-53, 58-85, 87-95, 178H2, 1-15H3, (H2, 179, 225)(H, 184, 231)(H, 185, 226)(H, 186, 232)(H, 190, 248)(H, 191, 250)(H, 192, 251)(H, 193, 249)(H, 194, 245)(H, 195, 252)(H, 196, 267)(H, 197, 228)(H, 198, 229)(H, 199, 227)(H, 200, 246)(H, 201, 255)(H, 202, 253)(H, 203, 265)(H, 204, 247)(H, 205, 256)(H, 206, 257)(H, 207, 254)(H, 208, 262)(H, 209, 263)(H, 210, 268)(H, 211, 264)(H, 212, 266)(H, 213, 269)(H, 214, 230)(H, 215, 258)(H, 216, 261)(H, 217, 259)(H, 218, 260)(H, 233, 234)(H, 235, 236)(H, 237, 238)(H, 239, 240)(H, 241, 242)(H, 243, 244)(H, 270, 271)(H4, 180, 181, 187)(H4, 182, 183, 188)/t100-, 101-, 102-, 103-, 104+, 105+, 112-, 114-, 115-, 116-, 117-, 118-, 119-, 120+, 121-, 122-, 123-, 124-, 125-, 126-, 127-, 128-, 129-, 130-, 145-, 146-, 147-, 148-, 149-/m0/s1

Description

Des-[His-Aib] Semaglutide is a peptide truncation impurity characterized by absence of the histidine and alpha-aminoisobutyric acid residues from the semaglutide sequence | resulting in a predictable mass decrease and altered chromatographic behavior. This related substance is routinely tracked as a critical quality attribute during synthesis and purification | detected and quantified by orthogonal methods including reversed phase HPLC with UV detection and high-resolution mass spectrometry or tandem MS for sequence confirmation. Understanding its formation pathways | such as incomplete coupling or localized cleavage | supports targeted process controls and specification setting. Analytical profiles | stability trends | and impurity limits inform release testing and regulatory documentation.