Tirzepatide
Dual GIP/GLP-1 Receptor Agonist (LY3298176)
Tirzepatide (LY3298176) is a synthetic 39-residue linear polypeptide functioning as a dual agonist at the GIPR and GLP-1R, with preferential binding affinity at GIPR. A C20 fatty diacid lipid moiety at Lys26 confers reversible albumin binding. Experimental investigations have characterised tirzepatide-mediated glucose-dependent insulin secretion, glucagon suppression, gastric emptying delay, adipocyte insulin sensitivity modulation, and downstream transcriptional profiles in islet, adipose, and hepatic cell model systems.
| PROPERTIES | |
|---|---|
| Molecular Formula | C225H348N48O68 |
| Molecular Weight (g/mol) | 4813 |
| Monoisotopic Mass (Da) | 4810.5249 |
| Topological Polar Surface Area (Ų) | 1790 |
| Complexity | 11700 |
| XLogP (octanol-water partition) | -6.8 |
| Heavy Atom Count | 341 |
| H-Bond Donor Count | 58 |
| H-Bond Acceptor Count | 70 |
| Rotatable Bond Count | 163 |
| InChIKey | AAPYRSPHYSKGIS-MCNPHUAVSA-N |
| PubChem CID | 156588324 |
All values above are taken from PubChem CID 156588324 and can be checked against that record.
2D Structure
| CHEMICAL IDENTIFIERS | |
|---|---|
| CAS Number | 2023788-19-2 |
| PubChem CID | 156588324 |
| IUPAC Name | (2S)-2-[[20-[[(5S)-6-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-6-oxohexyl]amino]-20-oxoicosanoyl]amino]-5-[2-[2-[2-[2-[2-(carboxymethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid |
| InChIKey | AAPYRSPHYSKGIS-MCNPHUAVSA-N |
| InChI | InChI=1S/C225H348N48O68/c1-23-126(10)183(214(327)242-131(15)190(303)244-148(80-84-168(228)283)196(309)245-145(64-50-52-88-226)195(308)240-130(14)191(304)248-154(105-135-58-42-40-43-59-135)205(318)263-182(125(8)9)212(325)247-149(81-85-169(229)284)197(310)251-156(108-139-111-234-144-63-49-48-62-142(139)144)201(314)249-151(102-123(4)5)204(317)265-184(127(11)24-2)213(326)241-129(13)189(302)236-112-173(288)235-115-177(292)270-92-54-66-164(270)210(323)258-161(118-276)208(321)256-160(117-275)194(307)238-113-174(289)239-132(16)218(331)272-94-56-68-166(272)220(333)273-95-57-69-167(273)219(332)271-93-55-67-165(271)211(324)255-159(116-274)188(230)301)264-198(311)146(65-51-53-89-231-170(285)70-46-38-36-34-32-30-28-26-27-29-31-33-35-37-39-47-71-172(287)243-150(221(334)335)82-86-171(286)232-90-96-338-98-100-340-121-176(291)233-91-97-339-99-101-341-122-181(299)300)246-202(315)157(109-179(295)296)252-199(312)152(103-124(6)7)261-223(337)225(21,22)269-217(330)185(128(12)25-3)266-209(322)163(120-278)257-200(313)153(107-138-74-78-141(282)79-75-138)250-203(316)158(110-180(297)298)253-207(320)162(119-277)259-216(329)187(134(18)280)267-206(319)155(106-136-60-44-41-45-61-136)254-215(328)186(133(17)279)262-175(290)114-237-193(306)147(83-87-178(293)294)260-222(336)224(19,20)268-192(305)143(227)104-137-72-76-140(281)77-73-137/h40-45,48-49,58-63,72-79,111,123-134,143,145-167,182-187,234,274-282H,23-39,46-47,50-57,64-71,80-110,112-122,226-227H2,1-22H3,(H2,228,283)(H2,229,284)(H2,230,301)(H,231,285)(H,232,286)(H,233,291)(H,235,288)(H,236,302)(H,237,306)(H,238,307)(H,239,289)(H,240,308)(H,241,326)(H,242,327)(H,243,287)(H,244,303)(H,245,309)(H,246,315)(H,247,325)(H,248,304)(H,249,314)(H,250,316)(H,251,310)(H,252,312)(H,253,320)(H,254,328)(H,255,324)(H,256,321)(H,257,313)(H,258,323)(H,259,329)(H,260,336)(H,261,337)(H,262,290)(H,263,318)(H,264,311)(H,265,317)(H,266,322)(H,267,319)(H,268,305)(H,269,330)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,334,335)/t126-,127-,128-,129-,130-,131-,132-,133+,134+,143-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,182-,183-,184-,185-,186-,187-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N7CCC[C@H]7C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N |
Identifiers retrieved from PubChem CID 156588324.
HPLC purity report Sample lot
Tirzepatide
- Lot
- P2607005-LR088501
- SKU
- GD-TIRZ
Integration table as reported
| # | Ret. time | Height | Area | Area % | |
|---|---|---|---|---|---|
| 1 | 8.983 | 1.6941 | 17.7352 | 0.2020 | |
| 2 | 9.155 | 3.6828 | 31.3381 | 0.3569 | |
| 3 | 9.572 | 596.9642 | 8732.7236 | 99.4412 | |
Retention time in minutes. Height and area are the report’s own values and units. Method wording is normalised for units and spelling; every value is as reported.
Method as reported
| Column | Unitary C18, 4.6 × 150 mm, 5 µm 100 A |
|---|---|
| Mobile phase A | 0.1% trifluoroacetic acid in water |
| Mobile phase B | 0.1% trifluoroacetic acid in acetonitrile |
| Flow rate | 1.0 mL/min |
| Detection | 220 nm |
| Injection volume | 5 µL; |
| Instrument | Agilent HPLC 1100 |
Identity verified against PubChem, not a measurement of this lot
- CAS number
- 2023788-19-2
- Molecular formula
- C225H348N48O68
- Molecular weight
- 4813.5 g/mol
- Monoisotopic mass
- 4810.5249 Da
- InChIKey
- AAPYRSPHYSKGIS-MCNPHUAVSA-N
- PubChem CID
- 156588324
Corrections and queries 2 corrected
| Field | On the supplier document | Here | Why |
|---|---|---|---|
| Sequence line | characters dropped, Gln shown at position 24 | identity taken from PubChem | Tirzepatide carries Glu at position 24. The printed line also loses letters throughout and is cut off, so the identity shown here is the PubChem record for CAS 2023788-19-2, which the report's own CAS matches. |
| CAS number spacing | 2023788- 19-2 | 2023788-19-2 | Stray space inside the registry number. |
A measured result is never rewritten. Where a reported figure does not stand up, it is shown as printed and marked as queried.
Sample lot. This is the report supplied with the sample of this compound. A production lot ships with its own report, published here in the same form and indexed by its own lot number.
Every analytical figure above is transcribed from the supplier’s report for lot P2607005-LR088501. Identity is the PubChem record, which can be checked independently. Purity is the main peak’s share of integrated peak area at the detection wavelength, so it measures related impurities. Water, salts and counter-ions are not part of it. These are the supplier’s release documents, not independent third-party tests.
This product is sold exclusively for in vitro and laboratory research use. It has not been evaluated by the FDA. Not approved for diagnostic, therapeutic, or veterinary use.
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