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M-31850

CAT: 0013-GTR19155707-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155707-02Size:500 mg
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Description
M-31850 is a potent, selective and competitive β-hexosaminidase (Hex) inhibitor (human HexA and human HexB with IC50s of 6.0 μM and 3.1 μM, respectively) . IT also competitively inhibits β-N-acetyl-D-hexosaminidase OfHex2 with a Ki of 2.5 μM. (In Vitro) :M-31850 shows some activity towards Jack Bean Hex (JBHex) and bacterial Hex from Streptomyces plicatus (SpHex) (IC50 of 280 μM and >500 μM for JBHex and SpHex, respectively) .M-31850 produces a dose dependent increase in MUG hydrolysis (Hex S levels) in lysates from treated infantile Sandhoff disease (ISD) cells.M-31850 increases the half-life of the mutant Hex A from Adult forms of Tay-Sachs (ATSD) cells more than two-fold at 44° C, relative to the enzyme heated in the presence of DMSO. M-31850 acts as a classic competitive inhibitor of Hex (Km increases and Vmax is unaffected by increasing amounts of M-31850), with a Ki of 0.8 μM.
CAS Number
281224-40-6
Product Name Alternative
1H-Benz[de]isoquinoline-1,3 (2H) -dione, 2,2'- (iminodi-2,1-ethanediyl) bis-
Purity
>98% (HPLC)
Solubility
DMSO:5 mg/mL (10.79 mM; ultrasonic and adjust pH to 6 with HCl)
Smiles
C1=CC2=C3C (=C1) C (=O) N (C (=O) C3=CC=C2) CCNCCN4C (=O) C5=CC=CC6=C5C (=CC=C6) C4=O
Molecular Formula
C28H21N3O4
Molecular Weight
463.48
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-[2-[2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione
CAS Number281224-40-6
PubChem CID342139
IUPAC Name2-[2-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione
Molecular FormulaC28H21N3O4
Molecular Weight463.5
XLogP3.6
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity759
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCNCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI
InChI=1S/C28H21N3O4/c32-25-19-9-1-5-17-6-2-10-20(23(17)19)26(33)30(25)15-13-29-14-16-31-27(34)21-11-3-7-18-8-4-12-22(24(18)21)28(31)35/h1-12,29H,13-16H2
InChIKey
UPLUIYHKSADQOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-[2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione
CAS: 281224-40-6
CID: 342139
Formula: C28H21N3O4
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass463.15320616
Monoisotopic Mass463.15320616
Topological Polar Surface Area86.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity759
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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