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CS-W001157 4
Total: USD 88.00

Enzalutamide carboxylic acid

  • CAS No. 1242137-15-0

  • Cat. No. CS-0011619
  • Purity≥98%
  • MDL No.MFCD28411442

*For research and further manufacturing use only, not for direct human use.

Enzalutamide carboxylic acid|CS-0011619

Structure of 1242137-15-0

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General Information

  • CAS No. 1242137-15-0
  • Cat. No. CS-0011619
  • Purity ≥98%
  • MDL No. MFCD28411442
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₁₃F₄N₃O₃S
  • Molecular Weight 451.39
  • Synonym(s) MDV3100 carboxylic acid
  • SMILES O=C(O)C1=CC=C(N(C(N2C3=CC=C(C#N)C(C(F)(F)F)=C3)=S)C(C)(C)C2=O)C=C1F

Description

Enzalutamide carboxylic acid serves as a key metabolite and pharmacologically active intermediate in the androgen receptor pathway. This compound features a polar carboxyl group enhancing solubility, while retaining the core structural motifs responsible for high-affinity binding. It is stable under standard bench conditions and suitable for use in metabolic studies, assay development, and drug interaction profiling.

Application

Enzalutamide carboxylic acid serves as a key synthetic intermediate in the development of androgen receptor antagonists. Its carboxylic acid functionality enables direct derivatization via amide coupling or esterification, facilitating access to analogs for structure–activity relationship studies. The molecule exhibits bench stability and compatibility with standard purification methods, supporting efficient workflow integration in medicinal chemistry campaigns targeting prostate cancer therapeutics.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   84.64
  • LogP   4.33108
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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