JBJ-04-125-02 R-isomer | 2060610-53-7 | mutant-selective EGFR allosteric inhibitor

MedKoo Cat#: 408122 | Name: JBJ-04-125-02 R-isomer

Description:

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

JBJ-04-125-02 is a mutant-selective EGFR allosteric inhibitor with potential anticancer activity. As a single agent, it can inhibit cell proliferation and EGFRL858R/T790M/C797S signaling in vitro and in vivo. The combination of osimertinib and JBJ-04-125-02 results in an increase in apoptosis, a more effective inhibition of cellular growth, and an increased efficacy in vitro and in vivo compared with either single agent alone.

Chemical Structure

JBJ-04-125-02 R-isomer

CAS#2060610-53-7 (R-isomer)

Theoretical Analysis

MedKoo Cat#: 408122

Name: JBJ-04-125-02 R-isomer

CAS#: 2060610-53-7 (R-isomer)

Chemical Formula: C29H26FN5O3S

Exact Mass: 543.1740

Molecular Weight: 543.62

Elemental Analysis: C, 64.07; H, 4.82; F, 3.49; N, 12.88; O, 8.83; S, 5.90

Price and Availability

Size	Price	Availability
200mg	USD 2,950.00	2-3 months
500mg	USD 3,950.00	2-3 months
1g	USD 5,950.00	2-3 months

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Related CAS #

2140807-05-0 (racemic) 2060610-53-7 (R-isomer)

Synonym

JBJ-04-125-02; JBJ 04-125-02; JBJ04-125-02; JBJ-0412502; JBJ 0412502; JBJ0412502; JBJ-04-125-02 R-isomer;

IUPAC/Chemical Name

(R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-6-(4-(piperazin-1-yl)phenyl)isoindolin-2-yl)-N-(thiazol-2-yl)acetamide

InChi Key

VHQVOTINPRYDAO-AREMUKBSSA-N

InChi Code

InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1

SMILES Code

O=C(NC1=NC=CS1)[C@@H](C2=CC(F)=CC=C2O)N(CC3=C4C=C(C5=CC=C(N6CCNCC6)C=C5)C=C3)C4=O

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

>3 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 543.62 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: Maity S, Pai KSR, Nayak Y. Advances in targeting EGFR allosteric site as anti-NSCLC therapy to overcome the drug resistance. Pharmacol Rep. 2020 Aug;72(4):799-813. doi: 10.1007/s43440-020-00131-0. Epub 2020 Jul 14. PMID: 32666476; PMCID: PMC7381467. 2: To C, Jang J, Chen T, Park E, Mushajiang M, De Clercq DJH, Xu M, Wang S, Cameron MD, Heppner DE, Shin BH, Gero TW, Yang A, Dahlberg SE, Wong KK, Eck MJ, Gray NS, Jänne PA. Single and Dual Targeting of Mutant EGFR with an Allosteric Inhibitor. Cancer Discov. 2019 Jul;9(7):926-943. doi: 10.1158/2159-8290.CD-18-0903. Epub 2019 May 15. PMID: 31092401; PMCID: PMC6664433.