Products for Research Use Only

Azalanstat

CAT: 0013-GTR19199466-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199466-01Size:1 mg
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Description
Azanastat (RS 21607) is an orally active, selective inhibitor of lanosterol 14α-demethylase (CYP51), a key cytochrome P450 enzyme in cholesterol biosynthesis. It effectively reduces cholesterol synthesis in vitro in human and rodent hepatic cell models and demonstrates hypocholesterolemic activity in vivo in animal studies.
CAS Number
143393-27-5
Product Name Alternative
CYP51, Azalanstat, RS21607, RS-21607, RS 21607, RS 21607-007, RS 21607-197
Field of Research
Immunology & Inflammation, Metabolism Research
Purity
99.07% (May vary between batches)
Smiles
C ([C@]1 (CCC2=CC=C (Cl) C=C2) O[C@H] (CSC3=CC=C (N) C=C3) CO1) N4C=CN=C4
Molecular Formula
C22H24ClN3O2S
Molecular Weight
429.96
Storage Conditions
-20°C
Notes
For research use only.

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...
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

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