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Iso-Azalansta

CAT: 0013-GTR19238554-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238554-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(2R,4S) -Azalanstat (Iso-Azalanstat) is a selective heme oxygenase (HO) inhibitor employed in cardiovascular disease research. It is utilized in both in vitro and in vivo experimental models to investigate the role of HO in oxidative stress, inflammation, and vascular function.
CAS Number
143393-29-7
Product Name Alternative
HistoneMethyltransferase, Histone Methyltransferase, EZH2, isoAzalansta, Iso-Azalansta, Iso-RS-21607, Iso-RS-21607 (Iso-143393-27-5)
Field of Research
Epigenetics & Chromatin
Purity
99.53% (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

iso-Azalansta
CAS Number143393-29-7
PubChem CID9867329
IUPAC Name4-[[(2R,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-RBBKRZOGSA-N
Chemical Structure
2D Structure
2D structure of iso-Azalansta
CAS: 143393-29-7
CID: 9867329
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

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