MedKoo Cat#: 465807 | Name: JAB3068 HCl

Description:

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

JAB-3068, also known as HMN23485, SHP2-IN-6, is a potent SHP2 inhibitor. JAB-3068 targets, binds to and inhibits the activity of SHP2. This prevents SHP2-mediated signaling, inhibits MAPK signaling and prevents growth of SHP2-expressing tumor cells. SHP2, an oncoprotein overexpressed in a variety of cancer cell types, regulates cell survival, differentiation and proliferation through activation of the Ras-Raf-MEK-ERK signaling pathway. The Ras-MAPK pathway is often hyperactivated in cancer cells due to specific mutations and rearrangements and are dependent on SHP2 for their oncogenic signaling. SHP2 also regulates programmed cell death 1 (PD-1)-mediated signal transduction and is involved in immune checkpoint modulation.

Chemical Structure

JAB3068 HCl
JAB3068 HCl
CAS#2169223-49-6 (HCl)

Theoretical Analysis

MedKoo Cat#: 465807

Name: JAB3068 HCl

CAS#: 2169223-49-6 (HCl)

Chemical Formula: C22H27ClF2N6O2S

Exact Mass: 0.0000

Molecular Weight: 513.00

Elemental Analysis: C, 51.51; H, 5.31; Cl, 6.91; F, 7.41; N, 16.38; O, 6.24; S, 6.25

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
JAB3068 HCl; JAB3068 hydrochloride, JAB3068; JAB 3068; JAB-3068;
IUPAC/Chemical Name
(S)-1-(4-((3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl)thio)-3,3-difluoroindolin-1-yl)ethan-1-one hydrochloride
InChi Key
CVTYVQDHPFFBBF-PKLMIRHRSA-N
InChi Code
InChI=1S/C22H26F2N6O2S.ClH/c1-13(31)30-11-22(23,24)18-14(30)3-2-4-15(18)33-20-19(26)28-17(9-27-20)29-7-5-21(6-8-29)12-32-10-16(21)25;/h2-4,9,16H,5-8,10-12,25H2,1H3,(H2,26,28);1H/t16-;/m1./s1
SMILES Code
CC(N1CC(F)(F)C2=C1C=CC=C2SC3=NC=C(N(CC4)CCC54[C@H](N)COC5)N=C3N)=O.[H]Cl
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 513.00 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: Cunbo Ma, et al. Novel heterocyclic derivatives useful as shp2 inhibitors. WO2017211303A1. https://patents.google.com/patent/WO2017211303A1/en