2. Isotope-Labeled Compounds
  3. Hot 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 (39):

Cat. No. Nombre del producto No. CAS Pureza Estructura química
  • HY-117287
    Deucravacitinib 1609392-27-9 99.93%
    Deucravacitinib (BMS-986165) is an orally active allosteric inhibitor of tyrosine kinase 2 (TYK2), with an IC50 of 0.2 nM and a Ki of 0.02 nM against the JH2 domain of TYK2, and it exhibits selectivity over other JAK subtypes and most of the kinome. Deucravacitinib blocks IL-23, IL-12, p-STAT1/3 and Type I IFN signaling, and inhibits Th17/Th1-mediated psoriasis inflammation. Deucravacitinib can be used in research related to moderate-to-severe plaque psoriasis, inflammatory bowel disease and systemic lupus erythematosus.
    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-13017S
    Ivacaftor-d9 1413431-07-8 99.79%
    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.
    Ivacaftor-d<sub>9</sub>
  • HY-19939S
    VX-984 1476074-39-1 99.47%
    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-131968
    BMS-986202 1771691-34-9 99.29%
    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-181938S
    (S)-N-(4-((3-Methoxy-4-(2-methyl-2H-1,2,3-triazol-4-yl)pyridin-2-yl)amino)-5-propionylpyridin-2-yl)spiro[2.2]pentane-1-carboxamide-d3 3062086-74-9
    (S)-N-(4-((3-Methoxy-4-(2-methyl-2H-1,2,3-triazol-4-yl)pyridin-2-yl)amino)-5-propionylpyridin-2-yl)spiro[2.2]pentane-1-carboxamide-d<sub>3</sub>
  • HY-181896S
    PPARγ agonist-23
    PPARγ agonist-23 (Compound 9) is an orally active PPARγ agonist with an EC50 of 0.32 μM. PPARγ agonist-23 improves hepatic triglyceride levels, reduces scores of steatosis and hepatocellular ballooning, and decreases the total activity score of non-alcoholic steatohepatitis (NASH). PPARγ agonist-23 can be used for the research of non-alcoholic steatohepatitis.
    PPARγ agonist-23
  • HY-15831
    L-838417-d9 1213669-91-0 99.74%
    L-838417-d9 is the deuterium labeled L-838417 (HY-W009009). L-838417 is a selective partial agonist at the α2, α3 and α5 subtypes of the GABAA receptor and an antagonist at the α1, with binding Ki values of 0.79 nM, 0.67 nM, 1.67 nM, 267 nM, 2.25 nM and 2183 nM for α1β3γ2, α2β3γ2, α3β3γ2, α4β3γ2, α5β3γ2 and α6β3γ2. L-838417 has anti-anxiety activity.
    L-838417-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-145119AS
    Mindeudesivir hydrobromide 2779498-79-0 98.16%
    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-160144S
    Lomedeucitinib 2328068-29-5 99.75%
    Lomedeucitinib (BMS-986322) is a tyrosine protein kinase (TYK2) inhibitor.
    Lomedeucitinib
  • HY-176415
    Cys-MC-GGFG-Dxd 3025787-83-8 99.01%
    Cys-MC-GGFG-Dxd is a cysteine-modified, cleavable ADC drug-linker conjugate. Cys-MC-GGFG-Dxd consists of a maleimidocaproyl-glycine-glycine-L-phenylalanine-glycine (MC-GGFG) linker and an Exatecan (HY-13631) derivative (DXd) (HY-13631D) payload. Cys-MC-GGFG-Dxd can be further conjugated to anti-HER2 IgG1κ antibody for the synthesis of antibody-drug conjugates (ADC), such as the breast cancer-targeting ADC compound Fam-trastuzumab deruxtecan-nxki (Enhertu).
    Cys-MC-GGFG-Dxd
  • HY-B0590S
    Tetrabenazine-d6 1392826-25-3 ≥99.0%
    Tetrabenazine-d6 (Deutetrabenazine) is a deuterium-labled Tetrabenazine (HY-B0590). Tetrabenazine (Ro 1-9569) is a brain-penetrant and orally active VMAT2-selective ligand with human VMAT2 Ki 100 nM. Tetrabenazine binds VMAT2 to block monoamine uptake into synaptic vesicles, potentiates cytoplasmic monoamine degradation. Tetrabenazine weakly blocks dopamine D2 receptors, and increases dopamine turnover via elevated cerebrospinal fluid homovanillic acid. Tetrabenazine can be used for the research of Huntington’s disease, tardive dyskinesia, and Tourette’s syndrome.
    Tetrabenazine-d<sub>6</sub>
  • HY-169326S
    JAK2-IN-11 3057053-17-2 98.03%
    JAK2-IN-11 (Example 6) is a JAK2 kinase inhibitor with IC50 ≤10 nM against JH2 BIND WT/V617F. JAK2-IN-11 has antitumor activity.
    JAK2-IN-11
  • HY-70002S
    Deutenzalutamide-d3 1443331-82-5 99.80%
    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-N0729S5
    Linoleic acid-d2 31447-29-7 98.52%
    Linoleic Acid-d2 is the deuterium labeled Linoleic acid. Linoleic acid is a common polyunsaturated (PUFA) found in plant-based oils, nuts and seeds. Linoleic acid is a part of membrane phospholipids, and functions as a structural component to maintain a certain level of membrane fluidity of the transdermal water barrier of the epidermis. Linoleic acid induces red blood cells and hemoglobin damage via oxidative mechanism.
    Linoleic acid-d<sub>2</sub>
  • HY-147403S
    Tebideutorexant 1637681-55-0 98.95%
    Tebideutorexant is an OX1R-selective inhibitor with oral bioavailability and blood-brain barrier permeability, with human OX1R pKi 8.17 and rat OX1R pKi 8.13.Tebideutorexant selectively modulates OX1R, with no significant functional effect on OX2R. Tebideutorexant can be used for the research of panic and anxiety disorders.
    Tebideutorexant
  • HY-161684
    JAK2-IN-10 3035735-18-0
    JAK2-IN-10 is a selective JAK2 V617F inhibitor with an IC50 value of ≤10 nM. JAK2-IN-10 can be used for the research of myeloproliferative neoplasms and other related diseases.
    JAK2-IN-10
  • HY-160144S2
    (rac)-Lomedeucitinib 2328064-33-9 98.11%
    (rac)-Lomedeucitinib ((rac)-BMS-986322) is the racemate of Lomedeucitinib. 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.
    (rac)-Lomedeucitinib
  • 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