Molidustat(BAY 85-3934)
- Product Name
- Molidustat(BAY 85-3934)
- CAS No.
- 1154028-82-6
- Chemical Name
- Molidustat(BAY 85-3934)
- Synonyms
- CS-1728;Somatoprim;MOLIDUSTAT;BAY 85-3934;Molidustat(BAY 85-3934);BAY 85-3934;BAY-85-3934;2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;2-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-3(2H)-one;2-(6-morpholinopyrimidin-4-yl)-4-(1h-1,2,3-triazol-1-yl)-1,2-dihydro-3h-pyrazol-3-one;1,2-dihydro-2-[6-(4-morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-3H-pyrazol-3-one
- CBNumber
- CB72729607
- Molecular Formula
- C13H14N8O2
- Formula Weight
- 314.3
- MOL File
- 1154028-82-6.mol
Molidustat(BAY 85-3934) Property
- Boiling point:
- 589.2±60.0 °C(Predicted)
- Density
- 1.67±0.1 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- solubility
- insoluble in EtOH; insoluble in H2O; ≥5.68 mg/mL in DMF
- form
- solid
- pka
- 5.38±0.37(Predicted)
- color
- White to off-white
- InChI
- InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
- InChIKey
- IJMBOKOTALXLKS-UHFFFAOYSA-N
- SMILES
- N1C=C(N2C=CN=N2)C(=O)N1C1C=C(N2CCOCC2)N=CN=1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H360May damage fertility or the unborn child
H372Causes damage to organs through prolonged or repeated exposure
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P314Get medical advice/attention if you feel unwell.
P330Rinse mouth.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 15297
- Product name
- BAY 85-3934
- Purity
- ≥95%
- Packaging
- 1mg
- Price
- $33
- Updated
- 2024/03/01
- Product number
- 15297
- Product name
- BAY 85-3934
- Purity
- ≥95%
- Packaging
- 5mg
- Price
- $137
- Updated
- 2024/03/01
- Product number
- 15297
- Product name
- BAY 85-3934
- Purity
- ≥95%
- Packaging
- 10mg
- Price
- $223
- Updated
- 2024/03/01
- Product number
- 15297
- Product name
- BAY 85-3934
- Purity
- ≥95%
- Packaging
- 25mg
- Price
- $396
- Updated
- 2024/03/01
- Product number
- B5861
- Product name
- Molidustat(BAY85-3934)
- Packaging
- 10mM(in 1mL DMF)
- Price
- $100
- Updated
- 2021/12/16
Molidustat(BAY 85-3934) Chemical Properties,Usage,Production
Description
Hypoxia-inducible factor (HIF) is the major transcription factor involved in erythropoietin gene expression. Because oxygen-
Uses
Molidustat (BAY 85-3934) is an orally active inhibitor of hypoxia-inducible factor prolyl hydroxylase (HIF-PH) with IC50 values of 480 nM, 280 nM, and 450 nM for PHD1, PHD2, and PHD3, respectively. Molidustat can elevate the levels of circulating erythropoietin (EPO) to near-normal physiological ranges. Molidustat can be utilized in the research of renal anemia[1][2].
Synthesis
5767-36-2
1021869-28-2
1154028-82-6
Example 23: 10.0 g (51.2 mmol) of 4-(6-hydrazinopyrimidin-4-yl)morpholine and 10.7 g (53.8 mmol) of 3-(dimethylamino)-2-(1H-1 ,2,3-triazol-1-yl)methyl acrylate were suspended in 100 mL of n-butyl acetate, 2.92 g (25.6 mmol) of trifluoroacetic acid was added, and the reaction was carried out at reflux temperature (about 120 °C) and the reaction was stirred for 6 hours. Upon completion of the reaction, the reaction mixture was cooled to 20 °C and stirring was continued for 16 h, followed by stirring at 0 °C for 1 h and filtration. The resulting solid was washed twice with cold ethyl acetate (4 mL each time) and dried under reduced pressure at 40 °C. The solid (15.5 mL) was then washed with cold ethyl acetate. The dried solid (15.6 g) was suspended in 100 mL of water, 2.4 mL of acetic acid was added and stirred at 50 °C for 30 min. After cooling to 20 °C, the suspension was filtered, the solid was washed twice with water (10 mL each time) and dried under reduced pressure at 40 °C to afford 13.9 g of the target product, 2-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one, in 86.3% (as theoretical) yield and 99.7 purity Area%, and 99.0 wt%.
in vitro
the ic50 values were found to be dependent on the 2-oxoglutarate concentration in the reaction buffer. by lowering the 2-oxoglutarate concentration from 20 μm to 0.3 μm, the potency of the test compound increased up to 10-fold. variation of the concentrations of fe2+ and ascorbate in the reaction buffer by factors of 30 and 200, respectively, did not alter the potency of the inhibitor by more than 2-fold [1].
in vivo
in repeat dosing of bay 85-3934, hemoglobin levels were increased compared with animals in vehicle group, while endogenous epo remained within the normal physiological range. bay 85-3934 therapy was also 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].
IC 50
480 nm, 280 nm, and 450 nm for phd1, phd2, and phd3, respectively.
References
[1] flamme i, oehme f, ellinghaus p, jeske m, keldenich j, thuss u. 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.
Molidustat(BAY 85-3934) Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Molidustat(BAY 85-3934) manufacturers
- Product
- Molidustat ;BAY85-3934 1154028-82-6
- Price
- US $0.00-0.00/g
- Min. Order
- 1g
- Purity
- 98%
- Supply Ability
- 100kgs
- Release date
- 2021-05-24
- Product
- Molidustat 1154028-82-6
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- Min98% HPLC
- Supply Ability
- g/kg/ton
- Release date
- 2019-12-23