Deuterium Labeled Compounds

JNJ-6204 is a dual inhibitor of CSNK1D (IC50 = 2.3 nM) and CSNK1E (IC50 = 137 nM).

VX-984 (M9831) is an oral, selective DNA-PK inhibitor that can cross the blood-brain barrier. VX-984 inhibited the conjugation of non-homologous terminal NHEJ and acted on DSBs to break DNA double strand. VX-984 is commonly seen in glioblastoma (GBM) and non-small cell lung cancer (NSC-LC) studies.

Fulvestrant-d3 is a isotope labeled compound of Fulvestrant.Fulvestrant (ZM 182780) is an estrogen receptor (ER) antagonist and GPR30 agonist that inhibits cell proliferation and induces apoptosis and autophagy.

Vitamin B3-d4 (Nicotinic acid-(ring-d4)) is the deuterium substitute for Niacin and is used to track Niacin metabolism in the body.

Palbociclib-d8 (PD 0332991 D8) is the 2H-labeled form of Palbociclib. Palbociclib is an orally active CDK inhibitor that inhibits CDK4 and CDK6 (IC50=11/16 nM). Palbociclib has anti-tumor activity and is used in research for estrogen receptor-positive and HER2-negative breast cancer.

Donafenib (Bay 43-9006 (D3)) is a deuterium-labeled Sorafenib which is a multikinase inhibitor(IC50s: 6 nM, 20 nM, and 22 nM for Raf-1, B-Raf, and VEGFR-3, respectively).

Aniline-d5 is a deuterated isotope marker of Aniline, which can be used for isotope tracing.Aniline induces toxicity to the spleen through iron overload and oxidative stress via heme oxygenase 1 up-regulation and is able to lead to a significant increase in p-IKKα and p-IKKβ, which in turn increases NF-κB and AP-1 binding activity.

5'-Deoxy-5'-methylthioadenosine-d3 is a stable, deuterium-labeled analogue of the endogenous nucleoside metabolite 5'-Deoxy-5'-methylthioadenosine (MTA, CAS 2457-80-9). this compound retains the tumor cell proliferation inhibitory effects of the parent molecule and is primarily utilized as an internal standard in mass spectrometry-based metabolomic studies to quantify MTA levels in biological samples.

Melatonin D5, a deuterium-labeled version of melatonin, is a hormone produced by the pineal gland, known for its role as a selective ATF-6 inhibitor that promotes apoptosis in human hepatoma cells via COX-2 downregulation. Additionally, it activates melatonin receptors and exhibits antioxidative and anti-inflammatory properties.

DL-Metanephrine-d3 Hydrochloride is L-Metanephrine labeled with deuterium atoms and can be used to study the metabolic flow of L-Metanephrine in the body.

Isoniazid-d4 is a deuterium isotope marker for Isoniazid, which can be used for isotope tracing and drug metabolism studies.Isoniazid is a prodrug that must be activated by the bacterial peroxidase KatG, and is bactericidal against rapidly dividing Mycobacterium species.

5-Hydroxy-L-tryptophan-4,6,7-d3 is L-5-Hydroxytryptophan labeled with 2H. L-5-Hydroxytryptophan (L-5-HTP) is a dietary supplement and a precursor to serotonin, which inhibits the IFN-γ induced PD-L1 expression. It promotes anti-tumor immunity and is used in research on migraine and depression.

Corticosterone-d8 is a 2H-labeled corticosteroid, an orally active adrenal corticosteroid with mineralocorticoid and glucocorticoid activity, involved in hormonal regulation in animals.

Ursodeoxycholic Acid-d4 (Ursodeoxycholic acid-2,2,4,4-d4) is the deuterium substitute of Ursodeoxycholic acid, and is an internal standard for the quantitative determination of Ursodeoxycholic Acid (UDCA) levels by LC/MS or GC/MS.

L-Kynurenine-d4 is a deuterated compound of L-Kynurenine. L-Kynurenine has a CAS number of 2922-83-0. L-Kynurenine is a key intermediate in the breakdown pathway of tryptophan. L-Kynurenine is a substrate of kynureninase, KMO, and KAT associated with the suppression of antitumor immune responses. It has been shown to inhibit allogeneic T-cell proliferation and to increase malignant U87 glioma cell invasion into a collagen matrix.

L-838417 D9 (C-21191) is a novel deuterated subtype-selective GABAA positive allosteric modulator, acting as a partial agonist at α2, α3 and α5 subtypes[1].

Sulfamethoxazole-d4 (Ro4-2130 D4) is a deuterium labeled Sulfamethoxazole, which can be used for isotope tracing.Sulfamethoxazole is a sulfonamide antimicrobial agent.

Ketorolac D5, a deuterium-labeled version of Ketorolac, is a non-steroidal anti-inflammatory agent that functions as a nonselective COX inhibitor. It exhibits IC50 values of 20 nM for COX-1 and 120 nM for COX-2.

L-Carnitine-d3 Chloride ((R)-Carnitine-d3 hydrochloride) is the deuterated form of L-Carnitine hydrochloride, used as an internal standard for detecting total carnitine in raw materials. L-Carnitine (L(-)-Carnitine) is an endogenous human molecule involved in fatty acid metabolism.

Vanillin-d3 (4-Hydroxy-3-methoxybenzaldehyde-d3) is the deuterium marker for vanillin and can be used for isotopic tracing. Vanillin (Zimco) is a natural product extracted from vanilla beans and is commonly used in perfumes, food and pharmaceuticals.

Choline-d4 Chloride (Choline-1,1,2,2-D4 Chloride) is a deuterated form of Choline chloride, an essential nutrient activating α7 nicotinic receptors with anti-inflammatory and analgesic activity. It impacts atherosclerosis, neurological diseases, and liver diseases.

Dimethyl-d6 Sulfoxide is a form in which hydrogen ("H") of dimethyl sulfoxide (DMSO, (CH3) 2S = O) is replaced by another isotope deuterium ("d"). Dimethyl-d6 Sulfoxide is a common solvent in nuclear magnetic resonance spectroscopy.

Nicotinamide-d4 is intended for use as an internal standard for the quantification of nicotinamide by GC- or LC-MS. Nicotinamide is an amide form of niacin, which is also known as vitamin B3, that can be biosynthesized in vivo or obtained through the diet. It is a precursor in the synthesis of the metabolic cofactor NAD+ and an inhibitor of sirtuin 1 (SIRT1; IC50 = <50 µM). Nicotinamide (10 µM) increases the activity of serine palmitoyltransferase (SPT) and the biosynthesis of ceramide, glucosylceramide, sphingomyelin, free fatty acids, and cholesterol in primary human keratinocytes. Nicotinamide (40 µM) induces apoptosis in SNU-398, SNU-739, and HepG2 hepatocellular carcinoma (HCC) cells, and it prevents the formation of neoplastic lesions in a diethylnitrosamine-induced mouse model of HCC. Unlike niacin, nicotinamide does not reduce plasma lipid levels or induce flushing.

Zanubrutinib-d5 (BGB-3111-d5), a deuterium-labeled Zanubrutinib, is an orally available Bruton's tyrosine kinase inhibitor for the study of B-cell malignancies.