2. Isotope-Labeled Compounds
  3. Research Area
  4. Deuterated Drug

Deuterated Drug

Deuterated drugs are drugs obtained by replacing hydrogen atoms at specific sites on drug molecules with deuterium atoms. In theory, incorporating ‘heavy hydrogen’ into small molecules improves the half-life of a drug and its toxicity profile. In April 2017, the U.S. Food and Drug Administration (FDA) approved the world’s first deuterated drug, the Deutetrabenazine for the treatment of Huntington’s-disease-related movement disorders. In 2022, the FDA approved another new deuterated drug, Deucravacitinib which is widely used to treat a variety of autoimmune diseases, including classic Sjogren's syndrome, rheumatoid arthritis, and psoriasis[1][2]

The following aspects are considered in the development of deuterated drugs design[2]：

 

Figure 1. Deuteration in Drug Design

 

References:

[1] Nat Biotechnol. 2017, Jun 7; 35(6):493-494.

[2] J.Med.Chem, 2019,62,5276-5297.

Deuterated Drug (12):

Cat. No. Product Name CAS No. Purity Chemical Structure
  • HY-117287
    Deucravacitinib 1609392-27-9 99.87%
    Deucravacitinib (BMS-986165) is a highly selective, orally bioavailable allosteric TYK2 inhibitor for the treatment of autoimmune diseases, which selectively binds to TYK2 pseudokinase (JH2) domain (IC50=1.0 nM) and blocks receptor-mediated Tyk2 activation by stabilizing the regulatory JH2 domain. Deucravacitinib inhibits IL-12/23 and type I IFN pathways. Deucravacitinib, the FDA's world first de novo deuterium, is available for study in moderate to severe plaque psoriasis.
    Deucravacitinib
  • HY-10201S
    Sorafenib-d3 1130115-44-4 99.57%
    Sorafenib-d3 (Donafenib), a deuterated compound of Sorafenib, is the first deuterium-generation tumor suppressor small molecule. Sorafenib is a multikinase inhibitor IC50s of 6 nM, 20 nM, and 22 nM for Raf-1, B-Raf, and VEGFR-3, respectively.
    Sorafenib-d<sub>3</sub>
  • HY-131968
    BMS-986202 1771691-34-9 99.92%
    BMS-986202 is a potent, selective and orally active Tyk2 inhibitor that binds to Tyk2 JH2 with an IC50 value of 0.19 nM and a Ki of 0.02 nM. BMS-986202 is remarkably selective over other kinases including Jak family members. BMS-986202 is also a weak inhibitor of CYP2C19 with an IC50 value of 14 μM. BMS-986202 can be used for IL-23-driven acanthosis, anti-CD40-induced colitis, and spontaneous lupus research. BMS-986202 is a de novo deuterium.
    BMS-986202
  • HY-19939S
    VX-984 1476074-39-1 98.86%
    VX-984 is an orally active, potent, selective and BBB-penetrated DNA-PK inhibitor. VX-984 efficiently inhibits NHEJ (non-homologous end joining) and increases DSBs (DNA double-strand breaks). VX-984 can be used for glioblastomas (GBM) and non-small cell lung cancer (NSCLC) research. VX-984 is a de novo deuterium.
    VX-984
  • HY-145119AS
    Mindeudesivir hydrobromide 2779498-79-0 99.46%
    Mindeudesivir (JT001; VV116; GS-621763-d1) hydrobromide is a deuterated version of Remdesivir (HY-104077), a highly orally active nucleoside antiviral against SARS-CoV-2 and respiratory syncytial virus (RSV). Mindeudesivir hydrobromide retains the antiviral activity of Remdesivir against COVID-19, and is the first domestically produced deuterium targeting the COVID-19.
    Mindeudesivir hydrobromide
  • HY-13017S
    Ivacaftor-d9 1413431-07-8 99.83%
    Ivacaftor-d9 is a potent CFTR modulator and exhibits an EC50 value of 255 nM for CFTR potentiation in G551D/F508del HBE Cells. Ivacaftor-D9 acts as an orally active and improved deuterated Ivacaftor analog for cystic fibrosis research[1].
    Ivacaftor-d<sub>9</sub>
  • HY-50856S
    Deuruxolitinib 1513883-39-0 99.18%
    Deuruxolitinib, a deuterated Ruxolitinib (HY-50856), is an orally active JAK1 and JAK2 inhibitor. Deuruxolitinib demonstrates significant hair regrowth effects. Deuruxolitinib can be used for the research of alopecia areata.
    Deuruxolitinib
  • HY-160144S
    Lomedeucitinib 2328068-29-5 99.75%
    Lomedeucitinib (BMS-986322) is a tyrosine protein kinase (TYK2) inhibitor. Lomedeucitinib has anti-inflammatory activity and significant inhibitory effect on IFNα (IC50=0.047 μM) production downstream of IL-12/TYK2. Lomedeucitinib is indicated for the study of plaque psoriasis and pruritus.
    Lomedeucitinib
  • HY-B0590S
    Tetrabenazine-d6 1392826-25-3 ≥99.0%
    Tetrabenazine-d6 (Deutetrabenazine) is a deuterium-labled Tetrabenazine (HY-B0590), is the first deuterium approved worldwide for the research of Huntington's disease, or other hyperkinetic movement disorders.
    Tetrabenazine-d<sub>6</sub>
  • HY-70002S
    Deutenzalutamide-d3 1443331-82-5 99.81%
    Deutenzalutamide (Enzalutamide-d3) is a developed deuterium labeled Enzalutamide (MDV3100). Enzalutamide is an androgen receptor (AR) antagonist with an IC50 of 36 nM in LNCaP prostate cells.
    Deutenzalutamide-d<sub>3</sub>
  • HY-157148
    1D228 2925447-16-9
    1D228 is a c-Met/TRK inhibitor with antitumor activity. 1D228 inhibits cyclin D1 to induce G0/G1 arrest and inhibit cancer cell proliferation and migration. 1D228 can be used in the study of gastric, liver and vascular tumors.
    1D228
  • HY-160219S
    BTK-IN-33 2765854-31-5
    BTK-IN-33 is a Btk inhibitor with anticancer effects (WO2023174300A1; compound I).
    BTK-IN-33