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TXNIP-IN-1

CAT: 0804-HY-115688-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-115688-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TXNIP-IN-1 is TXNIP-TRX (thioredoxin-interacting protein- thioredoxin) complex inhibitor extracted from patent US20200085800A1, Compound 1. TXNIP-IN-1 can be used in the research of TXNIP-TRX complex associated metabolic disorder (diabetes), cardiovascular disease, or inflammatory disease[1].
CAS Number
1268955-50-5
Product Name Alternative
DDD00107587, EPZ015866; GSK3203591, EPZ015866 (hydrochloride); GSK3203591 (hydrochloride)
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Arrestin
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease; Inflammation/Immunology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/txnip-in-1.html
Concentration
10mM
Purity
98.90
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)C(C(C)C)N(C1=O)C(C2=C1C=CN=C2)=O
Molecular Formula
C12H12N2O4
Molecular Weight
248.24
Precautions
H315, H319, H335
References & Citations
[1]Rama Natarajan, et al. Txnip-trx complex inhibitors and methods of using the same. US20200085800A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Txnip-IN-1
CAS Number1268955-50-5
PubChem CID47001822
IUPAC Name2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-methylbutanoic acid
Molecular FormulaC12H12N2O4
Molecular Weight248.23
XLogP0.8
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity394
SMILES
CC(C)C(C(=O)O)N1C(=O)C2=C(C1=O)C=NC=C2
InChI
InChI=1S/C12H12N2O4/c1-6(2)9(12(17)18)14-10(15)7-3-4-13-5-8(7)11(14)16/h3-6,9H,1-2H3,(H,17,18)
InChIKey
KTDYLXVLROCGRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Txnip-IN-1
CAS: 1268955-50-5
CID: 47001822
Formula: C12H12N2O4
MW: 248.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.23
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass248.07970687
Monoisotopic Mass248.07970687
Topological Polar Surface Area87.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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