MedKoo Cat#: 5931345 | Name: DDO5936 sodium

Description:

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

DDO-5936 is a potent PPI inhibitor targeting Hsp90-Cdc37 protein-protein interaction (PPI) as Orally Active Inhibitors for the Treatment of Colorectal Cancer. DDO-5936 disrupted the Hsp90-Cdc37 PPI both in vitro and in vivo via binding to a previously unknown site on Hsp90 involving Glu47, one of the binding determinants for the Hsp90-Cdc37 PPI, leading to selective down-regulation of Hsp90 kinase clients in HCT116 cells. In addition, inhibition of Hsp90-Cdc37 complex formation by DDO-5936 resulted in a remarkable cyclin-dependent kinase 4 decrease and consequent inhibition of cell proliferation through Cdc37-dependent cell cycle arrest.

Chemical Structure

DDO5936 sodium
DDO5936 sodium
CAS#DDO5936 sodium

Theoretical Analysis

MedKoo Cat#: 5931345

Name: DDO5936 sodium

CAS#: DDO5936 sodium

Chemical Formula: C25H28N5NaO4S

Exact Mass: 0.0000

Molecular Weight: 517.58

Elemental Analysis: C, 58.02; H, 5.45; N, 13.53; Na, 4.44; O, 12.36; S, 6.19

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
DDO5936; DDO 5936; DDO-5936; DDO5936 sodium;
IUPAC/Chemical Name
sodium N-(mesitylsulfonyl)-N-(4-((2-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)phenyl)glycinate
InChi Key
HALHLPKYRXABIK-UHFFFAOYSA-M
InChi Code
InChI=1S/C25H29N5O4S.Na/c1-17-14-18(2)24(19(3)15-17)35(33,34)30(16-23(31)32)21-8-6-20(7-9-21)27-22-10-11-26-25(28-22)29-12-4-5-13-29;/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,31,32)(H,26,27,28);/q;+1/p-1
SMILES Code
O=C([O-])CN(S(=O)(C1=C(C)C=C(C)C=C1C)=O)C2=CC=C(NC3=NC(N4CCCC4)=NC=C3)C=C2.[Na+]
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

Preparing Stock Solutions

The following data is based on the product molecular weight 517.58 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: Wang L, Jiang J, Zhang L, Zhang Q, Zhou J, Li L, Xu X, You Q. Discovery and Optimization of Small Molecules Targeting the Protein-Protein Interaction of Heat Shock Protein 90 (Hsp90) and Cell Division Cycle 37 as Orally Active Inhibitors for the Treatment of Colorectal Cancer. J Med Chem. 2020 Feb 13;63(3):1281-1297. doi: 10.1021/acs.jmedchem.9b01659. Epub 2020 Jan 24. PMID: 31935086. 2: Wang L, Zhang L, Li L, Jiang J, Zheng Z, Shang J, Wang C, Chen W, Bao Q, Xu X, Jiang Z, Zhang J, You Q. Small-molecule inhibitor targeting the Hsp90-Cdc37 protein-protein interaction in colorectal cancer. Sci Adv. 2019 Sep 18;5(9):eaax2277. doi: 10.1126/sciadv.aax2277. PMID: 31555737; PMCID: PMC6750927.