1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
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![1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a3a8458f50bf46fd85de70116d59be23.png "1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile")
1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
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CAS No:
150651-39-1
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Formula:
C20H13N5
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Chemical Name:
1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
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Synonyms:
iFSP1;MLS000578038;1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile;SMR000187223;1-Amino-3-p-tolyl-benzo[4,5]imidazo[1,2-a]pyridine-2,4-dicarbonitrile;Oprea1_094186;cid_699043;CHEMBL1490169;SCHEMBL16941529;BDBM54217
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CAS No:
Description
IFSP1 is a member of the class of pyridobenzimidazoles that is pyrido[1,2-a]benzimidazole substituted by amino, cyano, 4-methylphenyl, and cyano groups at positions 1, 2, 3 and 4, respectively. It is a potent inhibitor of ferroptosis suppressor protein 1 (FSP1) with EC50 of 103 nM. It induces ferroptosis in GPX4 knockout cells that overexpress FSP1. It has a role as a ferroptosis inducer, an antineoplastic agent and a ferroptosis suppressor protein 1 inhibitor. It is a member of toluenes, a nitrile, a primary amino compound, an aromatic amine and a pyridobenzimidazole.
1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile Basic Attributes
323.35072
323.117095 g/mol
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:323.3
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:323.11709544
Monoisotopic Mass:323.11709544
Topological Polar Surface Area:90.9
Heavy Atom Count:25
Complexity:592
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
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