N-Desmethyl enzalutamide

CAS No. 1242137-16-1
Cat. No. CS-2992
Purity≥98%
MDL No.MFCD24386671

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Description

N-desmethyl Enzalutamide serves as a key metabolite of enzalutamide, retaining potent anti-androgenic activity. This compound features a desmethylated amine moiety that enhances metabolic stability and facilitates direct evaluation in pharmacokinetic studies. Its structural similarity to the parent drug enables use in comparative biological assays and mechanism-of-action investigations.

Application

N-Desmethyl Enzalutamide serves as a key synthetic intermediate in the development of androgen receptor antagonists, enabling straightforward access to enzalutamide analogs via late-stage functionalization. Its stability under standard reaction conditions and compatibility with common coupling protocols facilitate efficient derivatization for medicinal chemistry exploration.

General Information

CAS No. 1242137-16-1
Cat. No. CS-2992
Purity ≥98%
MDL No. MFCD24386671
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₁₄F₄N₄O₂S
Molecular Weight 450.41
Synonym(s) N-Desmethyl MDV 3100
SMILES S=C(N1C2=CC(F)=C(C(N)=O)C=C2)N(C3=CC=C(C(C(F)(F)F)=C3)C#N)C(C(C)1C)=O

Computational Chemistry Data

TPSA 90.43
LogP 3.73178
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Safety Information

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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-P330-P362+P364-P405-P501

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Other Classifications

Bioactive Molecules Bioactive Small Molecules

Key Words

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N-Desmethyl enzalutamide

CAS No. 1242137-16-1

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