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DAO-IN-2 (Standard)

CAT: 0804-HY-117292R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117292R-01Size:10 mg
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Description
DAO-IN-2 (Standard) is the analytical standard of DAO-IN-2. This product is intended for research and analytical applications. DAO-IN-2 is a novel D-amino acid oxidase (DAO) inhibitor. DAO-IN-2 demonstrates moderate potency for DAO in vitro and ex vivo[1].
CAS Number
39793-31-2
UNSPSC
12352100
Target
Amino Acid Oxidase; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Neurological Disease
Smiles
O=C(C1=CC2=C(C=CS2)N1)O
Molecular Formula
C7H5NO2S
Molecular Weight
167.19
References & Citations
[1]Tim Sparey, et, al. The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors. Bioorg Med Chem Lett. 2008,18, 11.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

4H-thieno(3,2-b)pyrrole-5-carboxylic acid

structure in first source

CAS Number39793-31-2
PubChem CID4961254
IUPAC Name4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Molecular FormulaC7H5NO2S
Molecular Weight167.19
XLogP1.7
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity185
SMILES
C1=CSC2=C1NC(=C2)C(=O)O
InChI
InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKey
PMHDSACGRKBACK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-thieno(3,2-b)pyrrole-5-carboxylic acid
CAS: 39793-31-2
CID: 4961254
Formula: C7H5NO2S
MW: 167.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.19
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass167.00409958
Monoisotopic Mass167.00409958
Topological Polar Surface Area81.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity185
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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