CAS 1154028-82-6|Molidustat

Introduction：Basic information about CAS 1154028-82-6|Molidustat, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Molidustat BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Molidustat
CAS Number	1154028-82-6	Molecular Weight	314.303
Density	1.7±0.1 g/cm3	Boiling Point	589.2±60.0 °C at 760 mmHg
Molecular Formula	C₁₃H₁₄N₈O₂	Melting Point	/
MSDS	/	Flash Point	310.2±32.9 °C

Names

Name	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one
Synonym	More Synonyms

Molidustat BiologicalActivity

Description	Molidustat (BAY 85-3934) is a novel inhibitor of hypoxia-inducible factor prolyl hydroxylase (HIF-PH) with mean IC50 values of 480 nM for PHD1, 280 nM for PHD2, and 450 nM for PHD3.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>HIF/HIF Prolyl-HydroxylaseResearch Areas >>Cardiovascular Disease
Target	IC50: 480 nM (PHD1), 280 nM (PHD2), 450 nM (PHD3)[1]
In Vitro	The mean IC50 values of BAY 85-3934 for PHD1, PHD2, and PHD3 are 480 nM, 280 nM, and 450 nM, respectively. Exposure of HeLa cells to 5 μM BAY 85-3934 for 20 min is sufficient to induce detectable concentrations of HIF-1α. In a cellular reporter assay, BAY 85-3934 induces the expression of the firefly luciferase reporter gene under the control of a hypoxia responsive element promoter at a mean (± SD) EC50 of 8.4±0.7 μM (n=4) [1].
In Vivo	HIF stabilization by oral administration of the HIF-PH inhibitor BAY 85-3934 (molidustat) results in dose-dependent production of EPO in healthy Wistar rats and cynomolgus monkeys. Molidustat therapy is aldo effective in the treatment of renal anemia in rats with impaired kidney function and, unlike treatment with rhEPO, resulted in normalization of hypertensive blood pressure in a rat model of CKD[1].
Animal Admin	Rats: BAY 85-3934 is prepared as a solution in ethanol:Solutol HS 15:water (10:20:70). In a repeat-dose, 26-day experiment, male Wistar rats (240–340 g in body weight) are administered vehicle or BAY 85-3934 at doses of 0.5 mg/kg, 1.25 mg/kg, 2.5 mg/kg, and 5 mg/kg. The efficacy of BAY 85-3934 (2.5 mg/kg, once-daily, oral) is also compared with that of rhEPO (25 IU/kg, 50 IU/kg, and 100 IU/kg, twice-weekly, s.c. injection). The time-course of induction of EPO mRNA expression and plasma EPO is determined at baseline and 0.5 h, 1 h, 2 h, 4 h, 6 h, and 8 h after oral administration of a single dose of BAY 85-3934 (5 mg/kg)[1]. Monkey: BAY 85-3934 is prepared as a solution in 0.5% tylose. Male and female cynomolgus monkeys (2.8–5.6 kg in body weight) are administered at doses of 0.5 mg/kg and 1.5 mg/kg at 0 h, 24 h, 48 h, 72 h, and 96 h. Blood samples are taken at 7 h, 31 h, 55 h, 79 h, 103 h, and 168 h. Erythropoietic parameters are also evaluated after a 2-week treatment period with s.c. administration of rhEPO (100 IU/kg twice weekly at days 1, 4, 8, and 11) and BAY 85-3934 (1.5 mg/kg) once daily[1].
References	[1]. Flamme I, et al. Mimicking hypoxia to treat anemia: HIF-stabilizer BAY 85-3934 (Molidustat) stimulates erythropoietin production without hypertensive effects. PLoS One. 2014 Nov 13;9(11):e111838.

Chemical & Physical Properties

Density	1.7±0.1 g/cm3
Boiling Point	589.2±60.0 °C at 760 mmHg
Molecular Formula	C₁₃H₁₄N₈O₂
Molecular Weight	314.303
Flash Point	310.2±32.9 °C
Exact Mass	314.123962
PSA	106.75000
LogP	-1.77
Vapour Pressure	0.0±1.7 mmHg at 25°C
Index of Refraction	1.820
InChIKey	IJMBOKOTALXLKS-UHFFFAOYSA-N
SMILES	O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1
Storage condition	-20℃

Synonyms

UNII-9JH486CZ13

BAY 85-3934

2-[6-(4-Morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one

3H-Pyrazol-3-one, 1,2-dihydro-2-[6-(4-morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-

BAY-85-3934

Molidustat

BAY85-3934

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