ChemicalBook--->CAS DataBase List--->1169630-40-3

1169630-40-3

1169630-40-3 Structure

1169630-40-3 Structure
IdentificationBack Directory
[Name]

1169630-40-3
[CAS]

1169630-40-3
[Synonyms]

Ste-Glu-AEEA-AEEA-OSU
Octa(OtBu)-Glu(ɑ-OtBu)-AEEA-AEEA)-OR
17-((S)-1-CARBOXY-3-{2-[2-({2-[2-(2,5-DIOXO-PYRROLIDIN-1-YLOXYCARBONYL METHOXY)ETHOXY]ETHYLCARBAMOYL}METHOXY)ETHOXY]ETHYLCARBAMOYL}PROPYLCARBAMOYL)-HEPTADECANOIC ACID
18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoic acid
[Molecular Formula]

C39H66N4O15
[MDL Number]

MFCD32704903
[MOL File]

1169630-40-3.mol
[Molecular Weight]

830.96
Chemical PropertiesBack Directory
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[form ]

white to off-white powder
[pka]

3.52±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChIKey]

DVGUZQKRMQLDDD-HKBQPEDESA-N
[SMILES]

C(C(O)=O)CCCCCCCCCCCCCCCC(=O)N[C@H](C(O)=O)CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(ON1C(=O)CCC1=O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
[REACH Registrations]

Active
Raw materials And Preparation ProductsBack Directory
[Raw materials]

OCTADECANEDIOIC ACID-->18-(tert-butoxy)-18-oxooctadecanoic acid
[Preparation Products]

Semaglutide
Hazard InformationBack Directory
[Description]

Ste-Glu-AEEA-AEEA-OSU (CAS 1169630-40-3, 95%~99% purity) is a key fatty acid side-chain intermediate used in the synthesis of the GLP-1R agonist semaglutide. Attaching this intermediate to the peptide backbone of the peptide drug semaglutide can significantly prolong the drug’s half-life and improve patient compliance.
[Uses]

Ste-Glu-AEEA-AEEA-OSU is an intermediate of semaglutide, a glucagon-like peptide-1 (GLP-1) analog with significant hypoglycemic efficacy.
[Biological Functions]

Both Ste-Glu-AEEA-AEEA-OSU and Fmoc-L-Lys[Oct-(otBu)-Glu-(otBu)-AEEA-AEEA]-OH (1662688-20-1) are key side chains in the synthesis of the peptide drug semaglutide, but they serve different functions. Fmoc-L-Lys[Oct-(otBu)-Glu-(otBu)-AEEA-AEEA]-OH is an integrated side-chain intermediate; whereas Ste-Glu-AEEA-AEEA-OSU is a modified fragment in which the terminal carboxyl group has already been activated to form an N-hydroxysuccinimide ester (NHS/OSU active ester). Researchers can use it either to directly modify pre-synthesised main-chain peptides in solution, or to carry out bulk modification on the resin during the final stage of solid-phase synthesis (SPPS).
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