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MedKoo Cat#: 130522 | Name: SHP2 Inhibitor 25

Description:

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

SHP2 Inhibitor 25 is a novel, potent SHP2 allosteric inhibitor (IC50 = 5 nM).

Chemical Structure

SHP2 Inhibitor 25
SHP2 Inhibitor 25
CAS#SHP2 Inhibitor 25

Theoretical Analysis

MedKoo Cat#: 130522

Name: SHP2 Inhibitor 25

CAS#: SHP2 Inhibitor 25

Chemical Formula: C23H22ClN9S

Exact Mass: 491.1407

Molecular Weight: 492.00

Elemental Analysis: C, 56.15; H, 4.51; Cl, 7.21; N, 25.62; S, 6.52

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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Related CAS #
No Data
Synonym
SHP2 Inhibitor-25, SHP2 In 25, SHP2-In-25, SHP2 In-25
IUPAC/Chemical Name
((1R,5S,6r)-3-(3-(4-Chloro-2-methyl-2H-indazol-5-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl)-6-(4-methylthiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl)methanamine
InChi Key
NTWGWRIHHGNWMJ-ANCIUUTRSA-N
InChi Code
InChI=1S/C23H22ClN9S/c1-11-9-34-22(27-11)23(10-25)14-7-33(8-15(14)23)17-5-26-20-19(29-30-21(20)28-17)12-3-4-16-13(18(12)24)6-32(2)31-16/h3-6,9,14-15H,7-8,10,25H2,1-2H3,(H,28,29,30)/t14-,15+,23+
SMILES Code
NC[C@@]1(C2=NC(C)=CS2)[C@@]3([H])CN(C4=CN=C5C(NN=C5C6=C(Cl)C7=CN(C)N=C7C=C6)=N4)C[C@@]13[H]
Appearance
To be determined
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 492.00 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. Petrocchi A, Grillo A, Ferrante L, Randazzo P, Prandi A, De Matteo M, Iaccarino C, Bisbocci M, Cellucci A, Alli C, Nibbio M, Pucci V, Amaudrut J, Montalbetti C, Toniatti C, Di Fabio R. Discovery of a Novel Series of Potent SHP2 Allosteric Inhibitors. ACS Med Chem Lett. 2023 Apr 17;14(5):645-651. doi: 10.1021/acsmedchemlett.3c00059. PMID: 37197453; PMCID: PMC10184159.