Rociletinib HBr
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MedKoo CAT#: 413217

CAS#: 1446700-26-0 (HBr)

Description: Rociletinib HBr is the salt form of Rociletinib, also known as AVL-301 and CO1686, an orally available small molecule, irreversible inhibitor of epidermal growth factor receptor (EGFR) with potential antineoplastic activity. EGFR inhibitor CO-1686 binds to and inhibits mutant forms of EGFR, including T790M, thereby leading to cell death of resistant tumor cells. Compared to other EGFR inhibitors, CO-1686 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.


Chemical Structure

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Rociletinib HBr
CAS# 1446700-26-0 (HBr)

Theoretical Analysis

MedKoo Cat#: 413217
Name: Rociletinib HBr
CAS#: 1446700-26-0 (HBr)
Chemical Formula: C27H29BrF3N7O3
Exact Mass:
Molecular Weight: 636.47
Elemental Analysis: C, 50.95; H, 4.59; Br, 12.55; F, 8.95; N, 15.41; O, 7.54

Price and Availability

Size Price Availability Quantity
5.0mg USD 250.0 2 Weeks
10.0mg USD 370.0 2 Weeks
50.0mg USD 600.0 2 Weeks
100.0mg USD 900.0 2 Weeks
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Related CAS #: 1374640-70-6 (free base)   1446700-26-0 (HBr)  

Synonym: Rociletinib HBr; CO-1686 Hydrobromide; CNX-419 hydrobromide

IUPAC/Chemical Name: 2-Propenamide, N-(3-((2-((4-(4-acetyl-1-piperazinyl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)amino)phenyl)-, hydrobromide (1:1)

InChi Key: IPKRDUJIGYXXNT-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H28F3N7O3.BrH/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38;/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35);1H

SMILES Code: C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(C)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O.[H]Br

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 636.47 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: Liu SV, Subramaniam D, Cyriac GC, Abdul-Khalek FJ, Giaccone G. Emerging protein kinase inhibitors for non-small cell lung cancer. Expert Opin Emerg Drugs. 2014 Mar;19(1):51-65. doi: 10.1517/14728214.2014.873403. Epub 2013 Dec 20. PubMed PMID: 24354593.