AA-CW236

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 525591

CAS#: 1869921-96-9

Description: AA-CW236 is a novel non-pseudosubstrate inhibitor of human O(6)-alkylguanine DNA methyltransferase (MGMT) by targeting MGMT active site Cys145 for covalent modification.


Chemical Structure

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AA-CW236
CAS# 1869921-96-9

Theoretical Analysis

MedKoo Cat#: 525591
Name: AA-CW236
CAS#: 1869921-96-9
Chemical Formula: C17H16ClF3N4O2
Exact Mass: 400.0914
Molecular Weight: 400.7862
Elemental Analysis: C, 50.95; H, 4.02; Cl, 8.85; F, 14.22; N, 13.98; O, 7.98

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: AA-CW236; AA-CW-236; AA-CW 236; AACW236; AACW-236; AACW 236;

IUPAC/Chemical Name: 4-(2-(5-(Chloromethyl)-4-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazol-1-yl)ethyl)-3,5-dimethylisoxazole

InChi Key: MPDMMSRZEHOFPA-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H16ClF3N4O2/c1-10-14(11(2)27-23-10)7-8-25-15(9-18)16(22-24-25)12-3-5-13(6-4-12)26-17(19,20)21/h3-6H,7-9H2,1-2H3

SMILES Code: CC1=C(CCN2N=NC(C3=CC=C(OC(F)(F)F)C=C3)=C2CCl)C(C)=NO1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 400.7862 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Wang C, Abegg D, Hoch DG, Adibekian A. Chemoproteomics-Enabled Discovery of a Potent and Selective Inhibitor of the DNA Repair Protein MGMT. Angew Chem Int Ed Engl. 2016 Feb 18;55(8):2911-5. doi: 10.1002/anie.201511301. Epub 2016 Jan 22. PubMed PMID: 26798972.