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PD146176

CAT: 0926-EAA07926-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-EAA07926-05Size:100 mg
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CAS Number
4079-26-9
MDL Number
MFCD05664738
Smiles
C1C2=C (C3=CC=CC=C3S1) NC4=CC=CC=C24
Molecular Formula
C15H11NS
Molecular Weight
237.32 g/mol
Controlled
No

Chemical Information

PD-146176

PD-146176 is an organic heterotetracyclic compound that is 1H-indole which is ortho-fused to a 2H-1-benzothiopyran group at positions 2-3. It is an inhibitor of 15-lipoxygenase that limits atherosclerotic lesion development in rabbits. It has a role as a ferroptosis inhibitor, an antiatherogenic agent and an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor. It is an organonitrogen heterocyclic compound, an organosulfur heterocyclic compound and an organic heterotetracyclic compound.

CAS Number4079-26-9
PubChem CID297589
IUPAC Name6,11-dihydrothiochromeno[4,3-b]indole
Molecular FormulaC15H11NS
Molecular Weight237.32
XLogP3.8
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity293
SMILES
C1C2=C(C3=CC=CC=C3S1)NC4=CC=CC=C24
InChI
InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2
InChIKey
ZGOOPZVQMLHPFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD-146176
CAS: 4079-26-9
CID: 297589
Formula: C15H11NS
MW: 237.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.32
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass237.06122053
Monoisotopic Mass237.06122053
Topological Polar Surface Area41.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity293
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

Alternative Products

CatalogName
M24370-01PD146176
MBS387761-01PD146176 (NSC168807)
HY-103157R-01PD146176 (Standard)
A13347-50PD146176 (NSC168807) 50mg
A13347-5PD146176 (NSC168807) 5mg
A13347-100PD146176 (NSC168807) 100mg
A13347-25PD146176 (NSC168807) 25mg
A13347-10PD146176 (NSC168807) 10mg
A13347-10mM-DPD146176 (NSC168807) 10mM * 1mL in DMSO

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