| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1109276-89-2 |
| Catalog No. | 2A-3179919 |
| Chinese Name | 反式-4-[4-(4-氨基-7,8-二氢-5-氧代嘧啶并[5,4-f][1,4]氧氮杂卓-6(5H)-基)苯基]环己烷乙酸 |
| Synonyms | cs-0370; PF-04620110 |
| Molecular Formula | C21H24N4O4 |
| Molecular Weight | 396.44 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 701.9±60.0 °C at 760 mmHg |
| Appearance | white to beige |
| Water Solubility | DMSO: soluble10mg/mL (clear solution) |
| Storage Condition | room temp |
| Application | PF-04620110 is an orally active diacylglycerol acyltransferase-1 (DGAT1) inhibitor with an IC50 of 19 nM. |
| HTC | 2934999090 |
| PubChem ID | 329823775 |
| SMILES | Nc1ncnc2c1C(=O)N(c1ccc(C3CCC(CC(=O)O)CC3)cc1)CCO2 |
| InChI | InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24) |
| InChI Key | GEVVQZHMFVFGLN-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352202 |
| Hazard Symbols | transportation |
| Bioactivity | PF-04620110 is an orally active, selective and potent diglyceride acyltransferase-1 (DGAT1) inhibitor with IC50 of 19 nM.IC50 value: 19 nM [1]Target: DGAT1PF-04620110 and imipramine (internal standard) were separated using a Hypersil Gold C18 column, with a mixture of acetonitrile and 10 mm ammonium formate (90:10, v/v) as the mobile phase. The ion transitions monitored in positive-ion mode [M + H](+) of multiple-reaction monitoring were m/z 397.0 -260.2 for PF-04620110 and m/z 280.8 - 86.0 for imipramine. The detector response was specific and linear for PF-04620110 at concentrations within the range 0.05-50 μg/mL and the signal-to-noise ratios for the samples were ≥10 [2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Acyltransferase Research Areas >> Metabolic Disease References [1]. Dow RL, et al. Design and synthesis of potent, orally-active DGAT-1 inhibitors containing a dioxino[2,3-d]pyrimidine core. Bioorg Med Chem Lett. 2011 Oct 15;21(20):6122-5. [2]. Lee KR, et al. Determination of PF-04620110, a novel inhibitor of diacylglycerol acyltransferase-1, in rat plasma using liquid chromatography-tandem mass spectrometry and its application in pharmacokinetic studies. Biomed Chromatogr. 2013 Jul;27(7):846-52 Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 701.9±60.0 °C at 760 mmHg Molecular Formula C21H24N4O4 Molecular Weight 396.440 Flash Point 378.3±32.9 °C Exact Mass 396.179749 PSA 118.64000 LogP 2.08 Appearance of Characters white to beige Vapour Pressure 0.0±2.3 mmHg at 25°C Index of Refraction 1.623 InChIKey GEVVQZHMFVFGLN-UHFFFAOYSA-N SMILES Nc1ncnc2c1C(=O)N(c1ccc(C3CCC(CC(=O)O)CC3)cc1)CCO2 Storage condition room temp Water Solubility DMSO: soluble10mg/mL (clear solution) |
| Use of | Properties Name 2-[4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohexyl]acetic acid Synonym More Synonyms PF-04620110 Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Acyltransferase Research Areas >> Metabolic Disease References [1]. Dow RL, et al. Design and synthesis of potent, orally-active DGAT-1 inhibitors containing a dioxino[2,3-d]pyrimidine core. Bioorg Med Chem Lett. 2011 Oct 15;21(20):6122-5. [2]. Lee KR, et al. Determination of PF-04620110, a novel inhibitor of diacylglycerol acyltransferase-1, in rat plasma using liquid chromatography-tandem mass spectrometry and its application in pharmacokinetic studies. Biomed Chromatogr. 2013 Jul;27(7):846-52 Chemical & Physical Properties Molecular Formula C21H24N4O4 Exact Mass 396.179749 PSA 118.64000 Appearance of Characters white to beige Index of Refraction 1.623 InChIKey GEVVQZHMFVFGLN-UHFFFAOYSA-N Storage condition room temp |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 99.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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