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Azalanstat

CAT: 0804-HY-105191-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-105191-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Azalanstat is an imidazole-dioxolane derivate that is a lanosterol 14-α demethylase inhibitor. Azalanstat is also a HO-1 (IC50 = 5.5 µM) and HO-2 (IC50 = 24.5 µM) inhibitor[1].
CAS Number
143393-27-5
Product Name Alternative
RS-21607
UNSPSC
12352005
Target
Cytochrome P450; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/azalanstat.html
Smiles
ClC(C=C1)=CC=C1CC[C@]2(O[C@@H](CO2)CSC3=CC=C(C=C3)N)CN4C=CN=C4
Molecular Formula
C22H24ClN3O2S
Molecular Weight
429.96
References & Citations
[1]Salerno L, et al. Progress in the development of selective heme oxygenase-1 inhibitors and their potential therapeutic application. Eur J Med Chem. 2019 Apr 1;167:439-453.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

4-((((2S,4S)-2-(2-(4-Chlorophenyl)ethyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)benzenamine

Azalanstat is a small molecule drug. Azalanstat has a monoisotopic molecular weight of 429.13 Da.

CAS Number143393-27-5
PubChem CID60876
IUPAC Name4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline
Molecular FormulaC22H24ClN3O2S
Molecular Weight430.0
XLogP3.9
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity500
SMILES
C1[C@H](O[C@@](O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)CSC4=CC=C(C=C4)N
InChI
InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
InChIKey
VYNIUBZKEWJOJP-UNMCSNQZSA-N
Chemical Structure
2D Structure
2D structure of 4-((((2S,4S)-2-(2-(4-Chlorophenyl)ethyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)benzenamine
CAS: 143393-27-5
CID: 60876
Formula: C22H24ClN3O2S
MW: 430.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.0
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass429.1277759
Monoisotopic Mass429.1277759
Topological Polar Surface Area87.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T25127-01Azalanstat
MBS5813200Azalanstat HCl
MBS5813201Azalanstat mesylate

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