ASP4132 tosylate - CAS# 1640294-30-9

ASP4132 tosylate, CAS No. 1640294-30-9, is a molecule with potential antineoplastic activity. Upon oral administration, ASP4132 affects oxidative phosphorylation in mitochondria of metabolically-active tumor cells, which reduces both energy production and tumor cell proliferation. Mitochondrial oxidative phosphorylation is hyperactivated in tumor cells and plays a key role in the promotion of tumor cell proliferation.

Product information

CAS Number: 1640294-30-9

Molecular Weight: 937.06

Formula: C46H51F3N6O8S2

Synonym:

ASP4132 tosylate

ASP 4132

ASP4132

ASP-4132

Chemical Name: (6-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2-yl)(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)methanone bis(4-methylbenzenesulfonate)

Smiles: COC1=CC=C(CN2CCC(CC2)C2=CC3NC(=NC=3C=C2)C(=O)N2CCN(CC3C=CC(=CC=3)C(F)(F)F)CC2)C=N1.CC1C=CC(=CC=1)S(O)(=O)=O.CC1C=CC(=CC=1)S(O)(=O)=O

InChiKey: KDMGCEXVMOJAAC-UHFFFAOYSA-N

InChi: InChI=1S/C32H35F3N6O2.2C7H8O3S/c1-43-29-9-4-23(19-36-29)21-39-12-10-24(11-13-39)25-5-8-27-28(18-25)38-30(37-27)31(42)41-16-14-40(15-17-41)20-22-2-6-26(7-3-22)32(33,34)35;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9,18-19,24H,10-17,20-21H2,1H3,(H,37,38);2*2-5H,1H3,(H,8,9,10)

Technical Data

Appearance: Solid Power.

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: Soluble in DMSO

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined.

HS Tariff Code: 382200

How to use

In Vitro:

ASP4132 shows comparable cell growth inhibitory (IC50=0.014 μM) activity against MDA-MB-453 breast cancer cell. ASP4132 shows relatively weak antiproliferative activity against SK-BR-3 (IC50>3 μM).

In Vivo:

ASP4132 (0.5-8 mg/kg; PO; once daily; for 21 days) causes the tumor growth inhibition and regression. ASP4132 (1 mg/kg; IV or PO) has a T1/2 of 3.6 hours, a CLtot of 19 mL/min•kg, and a Vss of 4.6 L/kg for rats for IV. ASP4132 is stable in human liver microsomes (HLM CLint, vitro=61 mL/min•kg).

References:

1. Kuramoto K, Yamada H, Shin T, et al. Development of a potent and orally active activator of adenosine monophosphate-activated protein kinase (AMPK), ASP4132, as a clinical candidate for the treatment of human cancer. Bioorg Med Chem. 2020;28(5):115307. doi:10.1016/j.bmc.2020.115307

Products are for research use only. Not for human use.