Synonym
SHP2-D26; SHP2 D26; SHP2D26
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(9-(4-(4-((3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl)thio)-2-chlorophenyl)amino)-4-oxobutanoyl)piperazin-1-yl)nonanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
InChi Key
XJSPAQRZSJUBLB-WQFCSRJTSA-N
InChi Code
InChI=1S/C56H79ClN12O6S2/c1-36(38-17-19-39(20-18-38)49-37(2)61-35-76-49)62-52(74)42-32-40(70)34-69(42)54(75)50(55(3,4)5)65-45(71)16-11-9-7-8-10-12-25-66-28-30-68(31-29-66)47(73)22-21-46(72)63-41-14-13-15-43(48(41)57)77-53-51(58)64-44(33-60-53)67-26-23-56(6,59)24-27-67/h13-15,17-20,33,35-36,40,42,50,70H,7-12,16,21-32,34,59H2,1-6H3,(H2,58,64)(H,62,74)(H,63,72)(H,65,71)/t36-,40+,42-,50+/m0/s1
SMILES Code
O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCCCCCN2CCN(C(CCC(NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)=O)=O)CC2)=O)=O)C[C@H](O)C1)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
1,115.90
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: Deng Y, Ma G, Vallega KA, Wang D, Wang M, Wang C, Wang S, Ramalingam SS, Sun SY. Correction to: Therapeutic efficacy of the novel SHP2 degrader SHP2-D26, alone or in combination, against lung cancer is associated with modulation of p70S6K/S6, Bim and Mcl-1. Cancer Gene Ther. 2022 Nov;29(11):1801-1802. doi: 10.1038/s41417-022-00479-w. Erratum for: Cancer Gene Ther. 2022 Nov;29(11):1558-1569. doi: 10.1038/s41417-022-00472-3. PMID: 35538225.
2: Deng Y, Ma G, Vallega KA, Wang D, Wang M, Wang C, Wang S, Ramalingam SS, Sun SY. Therapeutic efficacy of the novel SHP2 degrader SHP2-D26, alone or in combination, against lung cancer is associated with modulation of p70S6K/S6, Bim and Mcl-1. Cancer Gene Ther. 2022 Nov;29(11):1558-1569. doi: 10.1038/s41417-022-00472-3. Epub 2022 Apr 21. Erratum in: Cancer Gene Ther. 2022 Nov;29(11):1801-1802. doi: 10.1038/s41417-022-00479-w. PMID: 35449204.
3: Wang M, Lu J, Wang M, Yang CY, Wang S. Correction to "Discovery of SHP2-D26 as a First, Potent, and Effective PROTAC Degrader of SHP2 Protein". J Med Chem. 2021 Jan 14;64(1):906-908. doi: 10.1021/acs.jmedchem.0c02108. Epub 2020 Dec 23. Erratum for: J Med Chem. 2020 Jul 23;63(14):7510-7528. doi: 10.1021/acs.jmedchem.0c00471. PMID: 33356218.
4: Tang K, Jia YN, Yu B, Liu HM. Medicinal chemistry strategies for the development of protein tyrosine phosphatase SHP2 inhibitors and PROTAC degraders. Eur J Med Chem. 2020 Oct 15;204:112657. doi: 10.1016/j.ejmech.2020.112657. Epub 2020 Jul 23. PMID: 32738411.
5: Wang M, Lu J, Wang M, Yang CY, Wang S. Discovery of SHP2-D26 as a First, Potent, and Effective PROTAC Degrader of SHP2 Protein. J Med Chem. 2020 Jul 23;63(14):7510-7528. doi: 10.1021/acs.jmedchem.0c00471. Epub 2020 May 21. Erratum in: J Med Chem. 2021 Jan 14;64(1):906-908. doi: 10.1021/acs.jmedchem.0c02108. PMID: 32437146.
