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[(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate

  CAS No.: 105838-14-0   Cat No.: BADC-01490 4.5  

[(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate is a protective ADC linker intermediate with tosylate functionality, enabling selective conjugation and improving antibody-drug conjugate assembly and stability.

[(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate

Structure of 105838-14-0

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ADC Linker
Molecular Formula
C15H18N4O5
Molecular Weight
334.327

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Synonyms
MFCD00078109; Mitomycin C(Ametycine); EINECS 200-008-6
IUPAC Name
[(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OC(C)(C)C
InChI
InChI=1S/C12H17NO5S/c1-9-5-7-10(8-6-9)19(15,16)18-13-11(14)17-12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKey
WZDPZKPHVNFUKB-UHFFFAOYSA-N
Density
1.9±0.1 g/cm3
Solubility
soluble
Melting Point
360 °C
Flash Point
275.5±32.9 °C
Index Of Refraction
1.828
PSA
146.89000
Vapor Pressure
0.0±3.2 mmHg at 25°C
Signal Word
Danger
Boiling Point
532.0±60.0 °C at 760 mmHg

[(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate, a versatile chemical compound with diverse applications across scientific disciplines, is explored in four key domains with heightened perplexity and burstiness:

Chemical Synthesis: Often utilized as a protecting group for amines in organic synthesis, [(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate plays a strategic role in moderating the reactivity of amine groups, enabling precise reactions at specific sites within the molecule. This compound, crucial for multi-step synthesis processes, facilitates the intricate assembly of complex molecules with exceptional accuracy.

Pharmaceutical Development: Serving as an intermediate in pharmaceutical compound synthesis, [(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate showcases its adaptability in the efficient construction of biologically active molecules. Its modular nature streamlines protection and deprotection cycles, vital for peptide and small-molecule drug innovation, demonstrating its versatility in pharmaceutical advancement.

Material Science: Widely employed in crafting functional materials with tailored properties, [(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate contributes to the synthesis of polymers and advanced materials, necessitating the protection of specific amine functionalities during manufacturing processes. The resulting materials find diverse applications in coatings, adhesives, and specialized products, showcasing the compound's significance in material science exploration.

Bioconjugation: Integral to bioconjugation methodologies involving biomolecule modification or linkage to other chemical entities, [(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate serves a crucial role in safeguarding amino groups during the derivatization of peptides, proteins, and nucleic acids. This pivotal application drives the creation of bioconjugates for diagnostics, therapeutics, and biosensor development, highlighting the compound's essentiality in advancing bioconjugation techniques.

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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