WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 205796a
CAS#: Unknown
Description: 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.
MedKoo Cat#: 205796a
Name: CO1686-DA
CAS#: Unknown
Chemical Formula: C24H26F3N7O2
Exact Mass: 501.21001
Molecular Weight: 501.5
Elemental Analysis: C, 57.48; H, 5.23; F, 11.36; N, 19.55; O, 6.38
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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
The following data is based on the product molecular weight 501.5 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.
| 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.
Side-by side structure comparison of CO1686 and CO1686DA.
