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UCB-35440

CAT: 0013-GTR19196263-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196263-01Size:25 mg
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Description
UCB-35440 is a dual-action small molecule research compound functioning as a 5-lipoxygenase inhibitor and a histamine H1 receptor antagonist. It is utilized in preclinical research for investigating inflammatory pathways, particularly in models of allergic contact dermatitis and related skin conditions.
CAS Number
299460-62-1
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
[C@H] (N1CCN (CCOC2=C (C (N) =O) C=C (C#CCCN (C (N) =O) O) C=C2) CC1) (C3=CC=C (Cl) C=C3) C4=CC=CC=C4
Molecular Formula
C31H34ClN5O4
Molecular Weight
576.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ucb-35440
CAS Number299460-62-1
PubChem CID9894415
IUPAC Name5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]benzamide
Molecular FormulaC31H34ClN5O4
Molecular Weight576.1
XLogP3.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity903
SMILES
C1CN(CCN1CCOC2=C(C=C(C=C2)C#CCCN(C(=O)N)O)C(=O)N)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C31H34ClN5O4/c32-26-12-10-25(11-13-26)29(24-7-2-1-3-8-24)36-18-16-35(17-19-36)20-21-41-28-14-9-23(22-27(28)30(33)38)6-4-5-15-37(40)31(34)39/h1-3,7-14,22,29,40H,5,15-21H2,(H2,33,38)(H2,34,39)/t29-/m1/s1
InChIKey
KHVLZYHEWIBDOU-GDLZYMKVSA-N
Chemical Structure
2D Structure
2D structure of Ucb-35440
CAS: 299460-62-1
CID: 9894415
Formula: C31H34ClN5O4
MW: 576.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.1
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass575.2299323
Monoisotopic Mass575.2299323
Topological Polar Surface Area125 Ų
Heavy Atom Count41
Formal Charge0
Complexity903
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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