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Alda-1

CAT: 0013-GTR19163168-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163168-02Size:5 mg
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Description
A small-molecule activator of ALDH2, particularly effective activator of ALDH2*2 (EC50= 20 uM; increases the activity of the mutant, ALDH2*2 (11-fold) ; causes slight inhibition of GTN denitration and did not increase GTN-induced sGC activation in the presence of either variant; no effect on ADH1.
CAS Number
349438-38-6
Product Name Alternative
Alda-1 | Alda1 | Alda 1
Field of Research
Metabolism Research
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 51 mg/mL
Smiles
O=C (NCC1=CC=C (OCO2) C2=C1) C3=C (Cl) C=CC=C3Cl
Molecular Formula
C15H11Cl2NO3
Molecular Weight
324.1588
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzamide, N- (1,3-benzodioxol-5-ylmethyl) -2,6-dichloro-

Chemical Information

N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide

N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide is an organohalogen compound and a carbonyl compound.

CAS Number349438-38-6
PubChem CID831629
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.2
XLogP4
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity372
SMILES
C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)
InChIKey
NMKJFZCBCIUYHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
CAS: 349438-38-6
CID: 831629
Formula: C15H11Cl2NO3
MW: 324.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass323.0115986
Monoisotopic Mass323.0115986
Topological Polar Surface Area47.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity372
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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