MedKoo Cat#: 465831 | Name: DX3-213B
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Description:

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

DX3-213B is a potent Oxidative Phosphorylation Inhibitor (MIA PaCa-2 GI50 = 11 nM) for the Treatment of Pancreatic Cancer. DX3-213B disrupts adenosine triphosphate (ATP) generation, inhibits complex I function, and results in the growth inhibition of pancreatic cancer cells in the low nanomolar range. Importantly, the oral administration of DX3-213B resulted in significant in vivo efficacy in a pancreatic cancer syngeneic model without obvious toxicity.

Chemical Structure

DX3-213B
DX3-213B
CAS#2749555-66-4

Theoretical Analysis

MedKoo Cat#: 465831

Name: DX3-213B

CAS#: 2749555-66-4

Chemical Formula: C20H28F2N2O5S2

Exact Mass: 478.1408

Molecular Weight: 478.57

Elemental Analysis: C, 50.20; H, 5.90; F, 7.94; N, 5.85; O, 16.72; S, 13.40

Price and Availability

Size Price Availability Quantity
10mg USD 650.00 2 Weeks
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Related CAS #
No Data
Synonym
DX3-213B; DX3213B; DX3 213B;
IUPAC/Chemical Name
(R)-(4,4-difluoropiperidin-1-yl)(1-((4-(isopropylsulfonyl)phenyl)sulfonyl)piperidin-3-yl)methanone
InChi Key
HLSJMSNPBRGRGL-MRXNPFEDSA-N
InChi Code
InChI=1S/C20H28F2N2O5S2/c1-15(2)30(26,27)17-5-7-18(8-6-17)31(28,29)24-11-3-4-16(14-24)19(25)23-12-9-20(21,22)10-13-23/h5-8,15-16H,3-4,9-14H2,1-2H3/t16-/m1/s1
SMILES Code
O=S(C1=CC=C(S(C(C)C)(=O)=O)C=C1)(N2C[C@H](C(N3CCC(F)(CC3)F)=O)CCC2)=O
Appearance
Solid powder
Purity
>97% (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
Solvent mg/mL mM
Solubility
DMF 2.0 4.18
DMSO 3.0 6.27
Ethanol 2.0 4.18
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 478.57 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: Xue D, Xu Y, Kyani A, Roy J, Dai L, Sun D, Neamati N. Multiparameter Optimization of Oxidative Phosphorylation Inhibitors for the Treatment of Pancreatic Cancer. J Med Chem. 2022 Feb 24;65(4):3404-3419. doi: 10.1021/acs.jmedchem.1c01934. Epub 2022 Feb 15. PMID: 35167303.