U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H34ClN5O4
Molecular Weight 576.086
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UCB-35440

SMILES

NC(=O)N(O)CCC#CC1=CC=C(OCCN2CCN(CC2)[C@H](C3=CC=CC=C3)C4=CC=C(Cl)C=C4)C(=C1)C(N)=O

InChI

InChIKey=KHVLZYHEWIBDOU-GDLZYMKVSA-N
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

HIDE SMILES / InChI

Molecular Formula C31H34ClN5O4
Molecular Weight 576.086
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:28:27 GMT 2023
Edited
by admin
on Sat Dec 16 11:28:27 GMT 2023
Record UNII
Q5WMS52P89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UCB-35440
Common Name English
5-(4-(CARBAMOYL(HYDROXY)AMINO)BUT-1-YNYL)-2-(2-(4-((R)-(4-CHLOROPHENYL)-PHENYL-METHYL)PIPERAZIN-1-YL)ETHOXY)BENZAMIDE
Systematic Name English
UCB 35440-3
Code English
UCB 35440
Code English
BENZAMIDE, 5-(4-((AMINOCARBONYL)HYDROXYAMINO)-1-BUTYNYL)-2-(2-(4-((R)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-
Systematic Name English
Code System Code Type Description
CAS
299460-62-1
Created by admin on Sat Dec 16 11:28:27 GMT 2023 , Edited by admin on Sat Dec 16 11:28:27 GMT 2023
PRIMARY
FDA UNII
Q5WMS52P89
Created by admin on Sat Dec 16 11:28:27 GMT 2023 , Edited by admin on Sat Dec 16 11:28:27 GMT 2023
PRIMARY
PUBCHEM
9894415
Created by admin on Sat Dec 16 11:28:27 GMT 2023 , Edited by admin on Sat Dec 16 11:28:27 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Chemical synthesis of compound.
SALT/SOLVATE -> PARENT
Chemical synthesis of compound.
Related Record Type Details
ACTIVE MOIETY
ACTIVE MOIETY
Compounds and methods for treatment of asthma, allergy and inflammatory disorders. Chemical synthesis of ucb-35440.
ACTIVE MOIETY
Single oral doses of ucb 35440 (10 mg/kg in 0.5% methylcellulose suspension) at 1, 2, 6 or 24 h pre-histamine challenge produced minimal inhibition of histamine-induced extravasation in the dermis. However, when ucb 35440 (10 mg/kg in a 0.5% methylcellulose suspension) was orally administered 24 and 2 h prior to dermal histamine challenge, significant inhibition of extravasation was observed. Similar inhibition of histamine-induced extravasation was observed when animals were orally dosed twice a day (AM and PM 10 mg/kg in a 0.5% methylcellulose suspension) for 5.5 days prior to dermal histamine challenge. Collectively, these results suggest that ucb 35440 may represent an important therapeutic class for the treatment of dermatologic inflammatory conditions.
ACTIVE MOIETY
Class: Antiallergic, Antiasthmatic, Piperazine; Mechanism of Action: 5-lipoxygenase inhibitor, Histamine H1 receptor antagonist; Highest Development Phase: Suspended for Allergic rhinitis and Asthma; Most Recent Events: 05 Aug 2004 Suspended - Phase-II for Asthma (PO), 05 Aug 2004 Suspended - Phase-I for Allergic rhinitis (PO)