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MedKoo Cat#: 465811 | Name: SHP844

Description:

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

SHP844 is a SHP2 inhibitor.

Chemical Structure

SHP844
SHP844
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465811

Name: SHP844

CAS#: unknown

Chemical Formula: C29H24ClN5O6

Exact Mass: 573.1415

Molecular Weight: 573.99

Elemental Analysis: C, 60.68; H, 4.21; Cl, 6.18; N, 12.20; O, 16.72

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
SHP844; SHP 844; SHP-844;
IUPAC/Chemical Name
(3-chloro-4-((1-(2-hydroxy-3-methoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)methyl)benzoyl)-L-proline
InChi Key
SUGSJIDJUCFQEX-QFIPXVFZSA-N
InChi Code
InChI=1S/C29H24ClN5O6/c1-41-23-10-4-7-19(24(23)36)25-31-32-29-34(27(38)18-6-2-3-8-21(18)35(25)29)15-17-12-11-16(14-20(17)30)26(37)33-13-5-9-22(33)28(39)40/h2-4,6-8,10-12,14,22,36H,5,9,13,15H2,1H3,(H,39,40)/t22-/m0/s1
SMILES Code
COC1=C(O)C(C2=NN=C(N3CC4=C(Cl)C=C(C(N5[C@@](C(O)=O)([H])CCC5)=O)C=C4)N2C6=CC=CC=C6C3=O)=CC=C1
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 573.99 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: Yangchun M, WenYu Y, Liang Z, LiPeng L, JingWei W, WeiYa L, Shan D, Ying M, RunLing W. Exploring the cause of the dual allosteric targeted inhibition attaching to allosteric sites enhancing SHP2 inhibition. Mol Divers. 2021 Aug 2. doi: 10.1007/s11030-021-10286-4. Epub ahead of print. PMID: 34338914.