Dersalazine

CAT: 0804-HY-167719-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-167719-01Size:1 mg

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Description

Dersalazine (UR-12746 free base) is an inhibitor of platelet-activating factor, exhibiting intestinal anti-inflammatory activity and potential efficacy in treating ulcerative colitis.

CAS Number

188913-58-8

Product Name Alternative

UR-12746 (free base)

UNSPSC

12352005

Target

Platelet-activating Factor Receptor (PAFR)

Type

Reference compound

Related Pathways

GPCR/G Protein

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/dersalazine.html

Smiles

O=C(O)C1=CC(/N=N/C2=CC=C(/C(C3=CC=CC=C3)=C\C(N4CCC(CN5C(C)=NC6=C5C=CN=C6)CC4)=O)C=C2)=CC=C1O

Molecular Formula

C35H32N6O4

Molecular Weight

600.67

References & Citations

[1]Safety and activity of dersalazine sodium in patients with mild-to-moderate active colitis: double-blind randomized proof of concept study

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

Phase 2

Chemical Information

Dersalazine

See also: Dersalazine (annotation moved to).

CAS Number	188913-58-8
PubChem CID	135484128
IUPAC Name	2-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 Formula	C35H32N6O4
Molecular Weight	600.7
XLogP	6.4
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	45
Formal Charge	0
Complexity	1060

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

CAS: 188913-58-8

CID: 135484128

Formula: C35H32N6O4

MW: 600.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	600.7
XLogP3	6.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	600.24850352
Monoisotopic Mass	600.24850352
Topological Polar Surface Area	133 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T70084-01	Dersalazine
GTR19197783-01	Dersalazine sodium
GTR19209912-01	Dersalazine Free Base

Dersalazine

Chemical Information

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