MedKoo Cat#: 466250 | Name: JBJ-09-063

Description:

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

JBJ-09-063 is an allosteric mutant-EGFR inhibitor.

Chemical Structure

JBJ-09-063
JBJ-09-063
CAS#2820336-67-0 (free base)

Theoretical Analysis

MedKoo Cat#: 466250

Name: JBJ-09-063

CAS#: 2820336-67-0 (free base)

Chemical Formula: C31H29FN4O3S

Exact Mass: 556.1944

Molecular Weight: 556.66

Elemental Analysis: C, 66.89; H, 5.25; F, 3.41; N, 10.07; O, 8.62; S, 5.76

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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Synonym
JBJ-09-063; JBJ09-063; JBJ 09-063; JBJ-09063; JBJ-09 063; JBJ09063; JBJ 09 063;
IUPAC/Chemical Name
2-(5-fluoro-2-hydroxyphenyl)-2-(6-(4-(1-methylpiperidin-4-yl)phenyl)-1-oxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
InChi Key
SYTVDTWRIZNVEW-UHFFFAOYSA-N
InChi Code
InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)
SMILES Code
OC1=CC=C(F)C=C1C(N2CC(C=CC(C3=CC=C(C4CCN(C)CC4)C=C3)=C5)=C5C2=O)C(NC6=NC=CS6)=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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 556.66 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: To C, Beyett TS, Jang J, Feng WW, Bahcall M, Haikala HM, Shin BH, Heppner DE, Rana JK, Leeper BA, Soroko KM, Poitras MJ, Gokhale PC, Kobayashi Y, Wahid K, Kurppa KJ, Gero TW, Cameron MD, Ogino A, Mushajiang M, Xu C, Zhang Y, Scott DA, Eck MJ, Gray NS, Jänne PA. An allosteric inhibitor against the therapy-resistant mutant forms of EGFR in non-small cell lung cancer. Nat Cancer. 2022 Apr;3(4):402-417. doi: 10.1038/s43018-022-00351-8. Epub 2022 Apr 14. PMID: 35422503.