ICI 89406
Modify Date: 2025-08-25 19:25:31
ICI 89406 structure
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Common Name | ICI 89406 | ||
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| CAS Number | 53671-71-9 | Molecular Weight | 354.40300 | |
| Density | 1.25 g/cm3 | Boiling Point | 575ºC at 760 mmHg | |
| Molecular Formula | C19H22N4O3 | Melting Point | 155-156 °C | |
| MSDS | N/A | Flash Point | 301.5ºC | |
Use of ICI 89406ICI 89406 is a selective β1 adrenergic receptor antagonist amenable to labelling with positron emitters, for PET[1][2]. |
| Name | 1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea |
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| Synonym | More Synonyms |
| Description | ICI 89406 is a selective β1 adrenergic receptor antagonist amenable to labelling with positron emitters, for PET[1][2]. |
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| Related Catalog | |
| In Vivo | Animal Model: Rats[2]. Dosage: 0.6, 5 or 50 mg/kg. Administration: Orally (5 or 50 mg/kg), i.p. (5 mg/kg), i.v. 0.6 (0.6 mg/kg) (Pharmacokinetic Analysis). Result: Following oral administration, the dose of 5 mg/kg urinary and faecal excretion accounted for 5.8 + 0.7% and 96.4 + 2.1%. The dose of 50 mg/kg urinary and faecal excretion accounted for 14.0 + 4.0% and 78.4 + 2.4%. The proportions of unchanged drug and metabolites in urine were independent of the dose. The unchanged drug accounted for 81.6% of the faecal components after a dose of 5 mg/kg but this was reduced to 47.8%. |
| References |
| Density | 1.25 g/cm3 |
|---|---|
| Boiling Point | 575ºC at 760 mmHg |
| Melting Point | 155-156 °C |
| Molecular Formula | C19H22N4O3 |
| Molecular Weight | 354.40300 |
| Flash Point | 301.5ºC |
| Exact Mass | 354.16900 |
| PSA | 106.41000 |
| LogP | 2.56408 |
| Index of Refraction | 1.613 |
| InChIKey | HTLWRKRZKFAAAH-UHFFFAOYSA-N |
| SMILES | N#Cc1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1 |
| Storage condition | 2-8°C |
| HS Code | 2926909090 |
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| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Name: Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
Source: NCGC
Target: N/A
External Id: SERCaMPGLuc-p1-antagonist
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Name: Thermal Shift Assay. Domain: start/stop: M1-L298
Source: ChEMBL
Target: Cyclin-dependent kinase 2
External Id: CHEMBL5062802
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1315
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Name: Tocris HTS for Inhibitors of Aerobactin Synthetase lucA
Source: 23265
External Id: IucA Pilot Assay Tocris Library
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Name: Thermal Shift Assay. Domain: start/stop: M1-S360
Source: ChEMBL
Target: Mitogen-activated protein kinase 1
External Id: CHEMBL5066886
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Name: Thermal Shift Assay. Domain: start/stop: M1-L298
Source: ChEMBL
Target: Cyclin-dependent kinase 2
External Id: CHEMBL5063170
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Thermal Shift Assay. Domain: start/stop: M26-R383
Source: ChEMBL
Target: Glycogen synthase kinase-3 beta
External Id: CHEMBL5065589
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| Ici 89 406 |