metrifudil

Modify Date: 2025-08-20 18:08:49

metrifudil Structure
metrifudil structure
Common Name metrifudil
CAS Number 23707-33-7 Molecular Weight 371.39000
Density 1.57g/cm3 Boiling Point 694.1ºC at 760 mmHg
Molecular Formula C18H21N5O4 Melting Point N/A
MSDS N/A Flash Point 373.6ºC

 Names

Name metrifudil

 Chemical & Physical Properties

Density 1.57g/cm3
Boiling Point 694.1ºC at 760 mmHg
Molecular Formula C18H21N5O4
Molecular Weight 371.39000
Flash Point 373.6ºC
Exact Mass 371.15900
PSA 125.55000
LogP 0.43130
Vapour Pressure 3.15E-20mmHg at 25°C
Index of Refraction 1.743
InChIKey OOEMZCZWZXHBKW-SCFUHWHPSA-N
SMILES Cc1ccccc1CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O

 Synthetic Route

~70%

metrifudil Structure

metrifudil

CAS#:23707-33-7

Literature: Novo Nordisk A/S Patent: US5672588 A1, 1997 ; US 5672588 A

 Precursor & DownStream

Precursor  2

DownStream  0

 metrifudilBioassay

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Name: Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring dis...
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL647731
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Source: ChEMBL
Target: N/A
External Id: CHEMBL1266185
Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signa...
Source: 824
Target: AR protein [Homo sapiens]
External Id: MDAN535
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
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
Name: Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CH...
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL829833
Name: evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK); ina...
Source: ChEMBL
Target: Phosphoglycerate kinase 1
External Id: CHEMBL765583
Name: In vivo inhibition of DMCM-induced seizures in mouse by the compound 30 min after int...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL739042
Name: Mean blood pressure(MBP) at an infused dose of agonist administered intravenously 0.0...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL787442
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