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UCB-35440

CAT: 0804-HY-19443-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19443-01Size:1 mg
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Description
UCB-35440 is an orally active histamine H1 receptor antagonist and 5-lipoxygenase inhibitor. UCB-35440 inhibits LTB4 formation in human whole blood and reduces polymorphonuclear cell infiltration in mouse models. UCB-35440 inhibits histamine-stimulated bronchoconstriction and reduces skin inflammation in guinea pigs. UCB-35440 can be used for research on asthma and skin inflammation[1][2].
CAS Number
299460-62-1
UNSPSC
12352005
Target
Histamine Receptor; Lipoxygenase
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ucb-35440.html
Purity
99.38
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
O=C(N)C1=CC(C#CCCN(C(N)=O)O)=CC=C1OCCN2CCN([C@@H](C3=CC=C(Cl)C=C3)C4=CC=CC=C4)CC2
Molecular Formula
C31H34ClN5O4
Molecular Weight
576.09
References & Citations
[1]Giannaras A, et al. The effect of a novel, dual function histamine H1 receptor antagonist/5-lipoxygenase enzyme inhibitor on in vivo dermal inflammation and extravasation. Eur J Pharmacol. 2005 Jan 4;506 (3) :265-71. |[2]Oliver Werz, et al. Pharmacological intervention with 5-lipoxygenase: new insights and novel compounds. Expert Opin Ther Patents. 2005 May 10; 15 (5) :505-519.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
Phase 2

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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