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SRS11-92 100mg

CAT: 0628-A23998-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A23998-100Size:100 mg
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CAS Number
1467047-25-1

Chemical Information

Ethyl 3-(benzylamino)-4-(cyclohexylamino)benzoate

SRS11-92 is an ethyl ester resulting from the formal condensation of the carboxy group of 3-(benzylamino)-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis induced by erastin in HT-1080 human fibrosarcoma cells (EC50 = 6 nM). It has a role as a ferroptosis inhibitor. It is a diamine, an ethyl ester, a substituted aniline and a secondary amino compound. It is functionally related to a ferrostatin-1.

CAS Number1467047-25-1
PubChem CID71745064
IUPAC Nameethyl 3-(benzylamino)-4-(cyclohexylamino)benzoate
Molecular FormulaC22H28N2O2
Molecular Weight352.5
XLogP5.4
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity416
SMILES
CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)NCC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-2-26-22(25)18-13-14-20(24-19-11-7-4-8-12-19)21(15-18)23-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-15,19,23-24H,2,4,7-8,11-12,16H2,1H3
InChIKey
VHQAJFNLPQULSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-(benzylamino)-4-(cyclohexylamino)benzoate
CAS: 1467047-25-1
CID: 71745064
Formula: C22H28N2O2
MW: 352.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass352.215078140
Monoisotopic Mass352.215078140
Topological Polar Surface Area50.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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