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 (26):

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-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-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-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-131905S
    BMS-986144 1606150-08-6
    BMS-986144 is a third-generation, pan-genotype (GT) NS3/4A protease inhibitor. BMS-986144 inhibits HCV replicon with EC50s of 2.3, 0.7, 1.0, 12, 8.0, and 5.8 nM for GT-1a, GT-1b, GT-2a, GT-3a, 1a R155X, and 1b D168V, respectively. BMS-986144 has the potential for the research of HCV infection.
    BMS-986144
  • HY-147403S
    Tebideutorexant 1637681-55-0
    Tebideutorexant (JNJ-61393215) is a potent orexin receptor antagonist. Tebideutorexant can be used for insomnia research.
    Tebideutorexant
  • HY-111124
    Paroxetine-d2 923932-43-8
    Paroxetine-d2 (CTP 347) is a deuterium labeled Paroxetine (HY-122272). Paroxetine is an oral inhibitor that falls under the category of selective serotonin reuptake inhibitors (SSRIs). Paroxetine is also a very weak norepinephrine (NE) reuptake inhibitor, capable of inducing cell apoptosis and having anti-tumor activity. Paroxetine has antidepressant, anti-anxiety, and pain-relieving effects, and it can help improve conditions like obsessive-compulsive disorder, panic disorder, post-traumatic stress disorder, premenstrual anxiety, and chronic headaches.
    Paroxetine-d<sub>2</sub>
  • 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.
    Ivacaftor-d<sub>9</sub>
  • HY-160144S
    Lomedeucitinib 2328068-29-5 99.75%
    Lomedeucitinib (BMS-986322) is a tyrosine protein kinase (TYK2) inhibitor.
    Lomedeucitinib
  • 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-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-15831
    L-838417-d9 1213669-91-0 99.71%
    L-838417-d9 is the deuterium labeled L-838417. L-838417 is a subtype-selective GABAA positive allosteric modulator, acting as a partial agonist at α2, α3 and α5 subtypes.
    L-838417-d<sub>9</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
  • HY-10961S8
    Momelotinib-d4 dihydrochloride hydrate 2056097-81-3
    Momelotinib-d4 (CYT387-d4) dihydrochloride hydrate is a deuterium labeled Momelotinib (HY-10961). Momelotinib (CYT387) is an ATP-competitive inhibitor of JAK1/JAK2 with IC50s of 11 nM and 18 nM,respectively. CYT387 shows much less activity against JAK3.
    Momelotinib-d<sub>4</sub> dihydrochloride hydrate
  • HY-176174S
    CDK2-IN-46 2498658-21-0
    CDK2-IN-46 (compound 5g) is a selective CDK2 inhibitor with an IC50 of 0.3 nM. CDK2-IN-46 has a selectivity of >200-fold for CDK1, CDK7, CDK9, CDK4, and CDK6. CDK2-IN-46 shows improves rat and cyno pharmacokinetic profiles.
    CDK2-IN-46
  • HY-176436S
    GW-117 2260629-83-0
    GW-117 is a 5-HT2C receptor antagonist and a melatonin (MT1/MT2) receptor agonist. GW-117 shows antidepressant-like and anxiolytic-like effects.
    GW-117
  • HY-172425
    Deulumateperone 2102683-75-8
    Deulumateperone is a deuterium labeled Lumateperone (HY-17637). Lumateperone is the orally active 5-HT2A receptor antagonist (Ki = 0.54 nM) and the modulator for dopamine receptor that exhibits antipsychotic and antineoplastic activities.
    Deulumateperone