![1-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(1-pyrrolidinyl)ethanone structure, CAS 314245-33-5](/structures/180000/171144_2_314245_33_5.png)
CAS Number314245-33-5
SynonymsIU1; F1142-1244; 1-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(1-pyrrolidinyl)ethanone
Molecular FormulaC18H21FN2O
Molecular Weight300.371
Purity98%%
Density1.2±0.1 g/cm3
Boiling Point437.0±45.0 °C at 760 mmHg
Appearanceoff-white to light brown
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 314245-33-5 |
| Catalog No. | 2A-1170962 |
| Chinese Name | 1-[1-(4-氟苯基)-2,5-二甲基-1H-吡咯-3-基]-2-(1-吡咯烷基)乙酮 |
| Synonyms | IU1; F1142-1244; 1-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(1-pyrrolidinyl)ethanone |
| Molecular Formula | C18H21FN2O |
| Molecular Weight | 300.371 |
| Purity | 98% |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 437.0±45.0 °C at 760 mmHg |
| Appearance | off-white to light brown |
| Water Solubility | DMSO: >10mg/mL |
| Storage Condition | Store at +4°C |
| Application | IU1 is a specific Usp14 with an IC50 of 4-5 μM. |
| HTC | 2933990090 |
| PubChem ID | 6381231 |
| SMILES | Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 |
| InChI | InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3 |
| InChI Key | JUWDSDKJBMFLHE-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/171144_2_314245_33_5.pdf |
| Bioactivity | IU1 is a special Usp14 inhibitor with IC50 of 4-5 μM. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> Deubiquitinase Research Areas >> Cardiovascular Disease Target IC50: 4-5 μM (Usp14)[1] In Vitro Usp14, a proteasome-associated deubiquitinating enzyme, can inhibit the degradation of ubiquitin-protein conjugates, in vivo and in vitro. IU1inhibits the catalytic activity of proteasome associated Usp14 in vitro. The IC50 of IU1 for Usp14 is 4-5 μM. IU1 binds specifically to the activated form of Usp14. IU1 can potentially inhibit Usp14 by preventing its docking on the proteasome, but direct tests of this scenario proved negative. Usp14 inhibition is rapidly established upon addition of IU1 and rapidly reversed upon its removal. IU1 also promotes degradation of Sic1, a CDK inhibitor from S. cerevisiae[1]. References [1]. Lee BH, et al. Enhancement of proteasome activity by a small-molecule inhibitor of USP14. Nature. 2010 Sep 9;467(7312):179-84. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 437.0±45.0 °C at 760 mmHg Molecular Formula C18H21FN2O Molecular Weight 300.371 Flash Point 218.1±28.7 °C Exact Mass 300.163788 PSA 25.24000 LogP 4.07 Appearance of Characters off-white to light brown Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.585 InChIKey JUWDSDKJBMFLHE-UHFFFAOYSA-N SMILES Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 Storage condition Store at +4°C Water Solubility DMSO: >10mg/mL |
| Use of | IU1 is a special Usp14 inhibitor with IC50 of 4-5 μM. Properties Name 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone Synonym More Synonyms IU1 Biological Activity Description IU1 is a special Usp14 inhibitor with IC50 of 4-5 μM. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> Deubiquitinase Research Areas >> Cardiovascular Disease IC50: 4-5 μM (Usp14)[1] References [1]. Lee BH, et al. Enhancement of proteasome activity by a small-molecule inhibitor of USP14. Nature. 2010 Sep 9;467(7312):179-84. Chemical & Physical Properties Molecular Formula C18H21FN2O Exact Mass 300.163788 PSA 25.24000 Appearance of Characters off-white to light brown Index of Refraction 1.585 InChIKey JUWDSDKJBMFLHE-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| 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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