DS18561882

SKU: orb1709827

Description

DS18561882 is a potent, selective, and orally bioavailable dual inhibitor of MTHFD2 and MTHFD1. It exhibits antitumor activity and is a valuable chemical probe for studying one-carbon metabolism in breast cancer research, both in vitro and in vivo.

Research Area

Cell Biology, Metabolism Research, Molecular Biology

Key Properties

• CAS Number: 2227149-22-4
• MW: 608.63
• Purity: 98.19% (May vary between batches)
• Formula: C₂₈H₃₁F₃N₄O₆S
• SMILES: C[C@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1
• Target: Dehydrogenase,DHFR
• Solubility: 10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (8.22 mM);DMSO:245 mg/mL (402.54 mM)

Bioactivity

• Target IC50:
  MTHFD1:0.57 μM|MDA-MB-231 cells cell line:140 nM (GL50)|MTHFD2:0.0063 μM
• In Vivo:
  DS18561882 (oral; 10mg/kg, 30mg/kg, 100mg/kg or 300mg/kg) has good oral pharmacokinetics, including ACU (64.6, 264, 726ug.H/ml); Cmax (11.4, 56.5, 90.1° g)/ml). T1/2 (2.21, 2.16, 2.32 hours) are 30 mg/kg; 100 mg/kg; 200 mg/kg respectively. DS18561882 was suspended in 0.5% (W/V) methylcellulose 400 solution. DS18561882 (oral; 30, 100 or 300 mg/kg); tumor growth inhibition was inhibited in a dose-dependent manner and was completely inhibited at 300 mg/kg in mice (TGI: 67%).
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• In Vitro:
  DS18561882 (0-150 nM) achieves the lowest GI50 value (140 nM) against the MDA-MB-231 cell line.

Storage & Handling

• Storage: -20°C
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

DS 18561882, DS-18561882, DS18561882, MTHFD2

Compound Identifiers

PubChem CID

139486677