MedKoo Cat#: 462178 | Name: JAB-3068 free base
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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

JAB-3068 free base
JAB-3068 free base
CAS#2169223-48-5 (free base)

Theoretical Analysis

MedKoo Cat#: 462178

Name: JAB-3068 free base

CAS#: 2169223-48-5 (free base)

Chemical Formula: C22H26F2N6O2S

Exact Mass: 476.1806

Molecular Weight: 476.55

Elemental Analysis: C, 55.45; H, 5.50; F, 7.97; N, 17.64; O, 6.71; S, 6.73

Price and Availability

Size Price Availability Quantity
10mg USD 250.00 2 Weeks
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
1g USD 3,950.00 2 Weeks
2g USD 6,450.00 2 Weeks
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Synonym
JAB-3068; JAB 3068; JAB3068; SHP2-IN-6; SHP2-IN 6; SHP2-IN6; HMN23485; HMN-23485; HMN 23485;
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
InChi Key
HGYTYZKWKUXRKA-MRXNPFEDSA-N
InChi Code
InChI=1S/C22H26F2N6O2S/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)/t16-/m1/s1
SMILES Code
CC(N1CC(F)(C2=C1C=CC=C2SC3=NC=C(N=C3N)N4CCC5([C@@H](COC5)N)CC4)F)=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
Solvent mg/mL mM comments
Solubility
Soluble in DMSO 0.0 0.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 476.55 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