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Merck
CN

943584

8-(((S)-1-((2S,4R)-4-hydroxy-2-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-8-oxooctanoic acid

new

≥95%

Synonym(s):

8-[[(1S)-1-[[(2S,4R)-4-Hydroxy-2-[[(1S)-1-[4-(4-methylthiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]carbonyl]-2,2-dimethylpropyl]amino]-8-oxooctanoic acid, 8-[[(S)-1-[(2S,4R)-4-Hydroxy-2-[[(S)-1-[4-(4-methylthiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctanoic acid, L-Prolinamide, L-Prolinamide, N-(7-carboxy-1-oxoheptyl)-3-methyl-L-valyl-4-hydroxy-N-[(1S)-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (4R)-

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About This Item

Empirical Formula (Hill Notation):
C31H44N4O6S
CAS Number:
2365173-02-8
Molecular Weight:
600.77
MDL number:
MFCD34789722

Key Documents

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Quality Level

100

Assay

≥95%

form

solid (peptidomimetic)
solid

reaction suitability

reaction type: Amidations
reaction type: Hydroxylations

color

off-white to pale yellow

functional group

(Chiral peptidomimetic/amino acid linker)

storage temp.

−20°C

SMILES string

O=C(O)CCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C=2C=CC(=CC2)C=3SC=NC3C)C)C(C)(C)C

InChI

1S/C31H44N4O6S/c1-19(21-12-14-22(15-13-21)27-20(2)32-18-42-27)33-29(40)24-16-23(36)17-35(24)30(41)28(31(3,4)5)34-25(37)10-8-6-7-9-11-26(38)39/h12-15,18-19,23-24,28,36H,6-11,16-17H2,1-5H3,(H,33,40)(H,34,37)(H,38,39)/t19-,23+,24-,28+/m0/s1

InChI key

MIWSTNJOAOJXKM-SHBPGGQBSA-N

General description

This compound is a peptidomimetic linker featuring a pyrrolidinone-based core with a tertiary branching point, an amino-octanoic acid chain, and a thiazole-containing phenyl moiety. Its complex, multi-chiral structure positions it well as a tailored ligand or building block in PROTACs, peptide mimics, or advanced medicinal scaffolds. It is supplied for research use only and maintained under cold-chain conditions for stability

Application

  • Medicinal Chemistry & PROTAC Design: Serves as a core linker or warhead moiety in PROTACs, likely modulating binding and degradation profiles.
  • Peptidomimetic Research: Applicable in designing enzyme inhibitors or mimetic frameworks due to its peptidic backbone and branching motif.
  • Chemical Biology Tool Development: Can be functionalized for imaging probes, affinity tags, or other biologically relevant constructs.

Features and Benefits

  • Highly Chiral, Complex Scaffold: Incorporates multiple stereocenters, a hydrophilic linker, and lipophilic aromatic region—promising high specificity in biological contexts.
  • Hydroxy & Amide Functionality: Enables hydrogen bonding and versatile conjugation sites.
  • Robust Structural Integrity: Rigid architecture supports targeted binding and enhanced stability.

Regulatory Information

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