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(3R,4S,5S)-tert-Butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride

  CAS No.: 120205-48-3   Cat No.: BADC-01504 4.5  

(3R,4S,5S)-tert-Butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride is a small-molecule biomedical compound that is commonly used as a cleavable linker for ADCs.

(3R,4S,5S)-tert-Butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride

Structure of 120205-48-3

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ADC Linker
Molecular Formula
C14H30ClNO3
Molecular Weight
295.84

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Synonyms
Dolaisoleucine-OBu-t.HCl; Dil-OtBu.HCl; (3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic Acid 1,1-Dimethylethyl Ester Hydrochloride
IUPAC Name
tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride
Canonical SMILES
CCC(C)C(C(CC(=O)OC(C)(C)C)OC)NC.Cl
InChI
InChI=1S/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11+,13-;/m0./s1
InChIKey
JRXGCIIOQALIMZ-LWEGJDAASA-N
Appearance
White Solid

(3R,4S,5S)-tert-Butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride is a chemical compound with significant utility in pharmaceutical and chemical research. Here are some key applications of this compound:

Synthetic Organic Chemistry: This compound serves as a valuable intermediate in the synthesis of complex organic molecules. Its unique structure and reactivity make it a useful building block for the development of pharmaceuticals and fine chemicals. By incorporating this intermediate, chemists can streamline the synthesis of target molecules, improving efficiency and yield.

Pharmaceutical Development: (3R,4S,5S)-tert-Butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride can be used in medicinal chemistry for the design and development of new therapeutic agents. Its stereochemistry and functional groups are crucial for constructing biologically active molecules. Understanding its interactions and behavior helps researchers develop drugs with better efficacy and safety profiles.

Analytical Chemistry: In analytical chemistry, this compound can be used as a reference standard or calibration agent in various chromatographic and spectroscopic methods. Its well-defined chemical properties allow for accurate quantification and validation of analytical procedures. This ensures reliability and consistency in the analysis of related compounds and products.

Biochemical Research: This compound can also be employed in biochemical studies to investigate its effects on biological systems. By examining its interactions with specific enzymes or receptors, researchers can uncover potential biological activities and mechanisms of action. This information is essential for drug discovery efforts and understanding compound bioactivity.

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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