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HMAO-B-IN-4

CAT: 0013-GTR19184261-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184261-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HMAO-B-IN-4 is a potent, selective, and reversible inhibitor of human monoamine oxidase-B (IC50 = 67 nM) with high BBB permeability. It is a valuable research tool for investigating MAO-B's role in neurological disorders, suitable for both in vitro enzyme assays and in vivo central nervous system studies.
CAS Number
1666119-75-0
Product Name Alternative
HMAO-B, hMAOBIN4, hMAO-B-IN-4
Field of Research
Metabolism Research, Neuroscience
Purity
99.80% (May vary between batches)
Solubility
DMSO:3.21 mg/mL (10.02 mM)
Smiles
O=C (\C=C\c1ccc (OCc2ccccc2) cc1) c1cccs1
Molecular Formula
C20H16O2S
Molecular Weight
320.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

hMAO-B-IN-4
CAS Number1666119-75-0
PubChem CID5344692
IUPAC Name(E)-3-(4-phenylmethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
Molecular FormulaC20H16O2S
Molecular Weight320.4
XLogP5.2
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)C3=CC=CS3
InChI
InChI=1S/C20H16O2S/c21-19(20-7-4-14-23-20)13-10-16-8-11-18(12-9-16)22-15-17-5-2-1-3-6-17/h1-14H,15H2/b13-10+
InChIKey
MKSMRBDQELHEBO-JLHYYAGUSA-N
Chemical Structure
2D Structure
2D structure of hMAO-B-IN-4
CAS: 1666119-75-0
CID: 5344692
Formula: C20H16O2S
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass320.08710092
Monoisotopic Mass320.08710092
Topological Polar Surface Area54.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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