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IDD388

CAT: 0804-HY-121933-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121933-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IDD388 is a selective aldose reductase (ALR2) inhibitor with an IC50 of 30 nM. IDD388 displays selectivity for ALR2 over ALR1 (IC50 of 14 μM) [1].
CAS Number
314297-26-2
UNSPSC
12352005
Target
Aldose Reductase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/idd388.html
Purity
99.40
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(COC1=CC(Cl)=CC=C1C(NCC2=CC=C(C=C2F)Br)=O)O
Molecular Formula
C16H12BrClFNO4
Molecular Weight
416.63
References & Citations
[1]Holger Steuber, et al. Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J Mol Biol. 2008 Jun 20;379 (5) :991-1016.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2-(((4-Bromo-2-fluorobenzyl)amino)carbonyl)-5-chlorophenoxy)acetic acid
CAS Number314297-26-2
PubChem CID16058629
IUPAC Name2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-chlorophenoxy]acetic acid
Molecular FormulaC16H12BrClFNO4
Molecular Weight416.6
XLogP3.7
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity456
SMILES
C1=CC(=C(C=C1Cl)OCC(=O)O)C(=O)NCC2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)
InChIKey
ZLIGBZRXAQNUFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(((4-Bromo-2-fluorobenzyl)amino)carbonyl)-5-chlorophenoxy)acetic acid
CAS: 314297-26-2
CID: 16058629
Formula: C16H12BrClFNO4
MW: 416.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass414.96223
Monoisotopic Mass414.96223
Topological Polar Surface Area75.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity456
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

Alternative Products

CatalogName
BA7166-25IDD388

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