MedKoo Cat#: 205796a | Name: CO1686-DA

Description:

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

CO1686-DA, is a CO1686 precursor, also a des-acryl analogue of CO1686. CO1686 is an orally available small molecule, irreversible inhibitor of epidermal growth factor receptor (EGFR) with potential antineoplastic activity. EGFR inhibitor CO1686 binds to and inhibits mutant forms of EGFR, including T790M, thereby leading to cell death of resistant tumor cells. Compared to other EGFR inhibitors, CO1686 inhibits T790M, a secondary acquired resistance mutation, as well as other mutant EGFRs and may have therapeutic benefits in tumors with T790M-mediated resistance to other EGFR tyrosine kinase inhibitors. This agent shows minimal activity against wild-type EGFR, hence does not cause certain dose-limiting toxicities.

Chemical Structure

CO1686-DA
CO1686-DA
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 205796a

Name: CO1686-DA

CAS#: Unknown

Chemical Formula: C24H26F3N7O2

Exact Mass: 501.2100

Molecular Weight: 501.50

Elemental Analysis: C, 57.48; H, 5.23; F, 11.36; N, 19.55; O, 6.38

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
CO1686 DA; CO1686DA; desacryl analogue of CO1686; CO1686 precursor.
IUPAC/Chemical Name
1-(4-(4-((4-((3-aminophenyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3-methoxyphenyl)piperazin-1-yl)ethanone
InChi Key
PXQZEXVGMRJEQE-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H26F3N7O2/c1-15(35)33-8-10-34(11-9-33)18-6-7-20(21(13-18)36-2)31-23-29-14-19(24(25,26)27)22(32-23)30-17-5-3-4-16(28)12-17/h3-7,12-14H,8-11,28H2,1-2H3,(H2,29,30,31,32)
SMILES Code
NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(C)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1
Appearance
white 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, not in water
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
More Info
Side-by side structure comparison of CO1686 and CO1686DA.    
Certificate of Analysis
Safety Data Sheet (SDS)

Preparing Stock Solutions

The following data is based on the product molecular weight 501.50 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
1: Walter AO, Tjin Tham Sjin R, Haringsma HJ, Ohashi K, Sun J, Lee K, Dubrovskiy  A, Labenski M, Zhu Z, Wang Z, Sheets M, St Martin T, Karp R, van Kalken D, Chaturvedi P, Niu D, Nacht M, Petter RC, Westlin W, Lin K, Jaw-Tsai S, Raponi M,  Van Dyke T, Etter J, Weaver Z, Pao W, Singh J, Simmons AD, Harding TC, Allen A. Discovery of a mutant-selective covalent inhibitor of EGFR that overcomes T790M-mediated resistance in NSCLC. Cancer Discov. 2013 Sep 25. [Epub ahead of print] PubMed PMID: 24065731.