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Dersalazine Free Base

CAT: 0013-GTR19209912-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209912-01Size:1 mg
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Description
Dersalazine is a platelet-activating factor inhibitor that demonstrates intestinal anti-inflammatory effects in rodent colitis models, primarily through down-regulation of IL-17. This mechanism supports its research potential for ulcerative colitis, with applications in both in vivo pharmacological studies and in vitro pathway analysis.
CAS Number
188913-58-8
Product Name Alternative
Plateletaggregation, Platelet aggregation, platelet-activating factor (PAF), IL Receptor, ILReceptor, IL-17A, Dersalazine, Dersalazine Free Base
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
DMSO:< 1 mg/mL (insoluble or slightly soluble) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
C (N1C=2C (N=C1C) =CN=CC2) C3CCN (C (/C=C (\C4=CC=C (N=NC5=CC (C (O) =O) =C (O) C=C5) C=C4) /C6=CC=CC=C6) =O) CC3
Molecular Formula
C35H32N6O4
Molecular Weight
600.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dersalazine

See also: Dersalazine (annotation moved to).

CAS Number188913-58-8
PubChem CID135484128
IUPAC Name2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid
Molecular FormulaC35H32N6O4
Molecular Weight600.7
XLogP6.4
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1060
SMILES
CC1=NC2=C(N1CC3CCN(CC3)C(=O)/C=C(/C4=CC=CC=C4)\C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)O)C=CN=C2
InChI
InChI=1S/C35H32N6O4/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45)/b29-20-,39-38?
InChIKey
AYEAMZDTWLXZIJ-JEFTWCRZSA-N
Chemical Structure
2D Structure
2D structure of Dersalazine
CAS: 188913-58-8
CID: 135484128
Formula: C35H32N6O4
MW: 600.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.7
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass600.24850352
Monoisotopic Mass600.24850352
Topological Polar Surface Area133 Ų
Heavy Atom Count45
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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