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2-Acetylphenothiazine (ML171)

CAT: 1568-C10894-01Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C10894-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6631-94-3
Synonyms
2-APT
SKU
C10894-25mg
Target
NADPH-oxidase
Applications
Immunology & Inflammation
Smiles
CC (=O) C1=CC2=C (C=C1) SC3=CC=CC=C3N2
Molecular Formula
C14H11NOS
Additionnal Information
2-Acetylphenothiazine (ML171, 2-APT) is a potent and selective inhibitor of NADPH-oxidase with IC50s of 0.25 μM, 5 μM, 3μM, 5 μM and 5.5 μM for NOX1, NOX2, NOX3, NOX4 and xanthine oxidase, respectively.
Storage Conditions
2 years -80 in solvent

Chemical Information

2-Acetylphenothiazine

1-(10H-phenothiazin-2-yl)ethanone is a member of phenothiazines.

CAS Number6631-94-3
PubChem CID81131
IUPAC Name1-(10H-phenothiazin-2-yl)ethanone
Molecular FormulaC14H11NOS
Molecular Weight241.31
XLogP3.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity307
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
InChIKey
JWGBOHJGWOPYCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetylphenothiazine
CAS: 6631-94-3
CID: 81131
Formula: C14H11NOS
MW: 241.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.31
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass241.05613515
Monoisotopic Mass241.05613515
Topological Polar Surface Area54.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity307
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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