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Details

Stereochemistry ACHIRAL
Molecular Formula C19H24N4O3.ClH
Molecular Weight 392.88
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PIBUTIDINE HYDROCHLORIDE

SMILES

Cl.NC1=C(NC\C=C/COC2=NC=CC(CN3CCCCC3)=C2)C(=O)C1=O

InChI

InChIKey=ODBOENMSSFCACZ-PVOKDAACSA-N
InChI=1S/C19H24N4O3.ClH/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23;/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2;1H/b5-2-;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H24N4O3
Molecular Weight 356.4189
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including http://www.ncbi.nlm.nih.gov/pubmed/9730007

Pibutidine hydrochloride (IT-066), a novel histamine H2 receptor antagonist has powerful and long lasting antisecretory and antiulcer effects and is a useful antisecretory drug for treatment of peptic ulcer diseases.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Effects of the new H2-receptor antagonist 3-amino-4-[4- [4- (1-piperidinomethyl)-2-pyridyloxy]-cis-2-butenylamino]-3-cyclobutene-1, 2- dione hydrochloride on gastric acid secretion and ulceration.
1990 Jan
Determination of pibutidine metabolites in human plasma by LC-MS/MS.
2000 Dec 15
Patents

Sample Use Guides

oral administration of a 20-mg dose of pibutidine hydrochloride
Route of Administration: Oral
In Vitro Use Guide
When H2-receptor transfected cells were treated with IT-066 (PIBUTIDINE) for 30 min, the inhibitory effect of IT-066 on the [3H]tiotidine binding still remained even after the cells were extensively washed. Scatchard plot analysis supported the non-competitive and irreversible action of IT-066. When the canine mutated H2-receptor-expressed cells were used, which have substituted amino acid of 190Alanine (Ala; position: 190th amino acid) for 190Threonine (Thr) in the fifth transmembrane domain, IT-066 also inhibited [3H]tiotidine binding to the cells concentration-dependently.
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:32:39 UTC 2023
Edited
by admin
on Sat Dec 16 07:32:39 UTC 2023
Record UNII
IF88DF5F6V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIBUTIDINE HYDROCHLORIDE
JAN  
Common Name English
3-CYCLOBUTENE-1,2-DIONE, 3-AMINO-4-(((2Z)-4-((4-(1-PIPERIDINYLMETHYL)-2-PYRIDINYL)OXY)-2-BUTENYL)AMINO)-, MONOHYDROCHLORIDE
Common Name English
IT-066
Code English
3-AMINO-4-(((Z)-4-(4-(PIPERIDIN-1-YLMETHYL)PYRIDIN-2-YL)OXYBUT-2-ENYL)AMINO)CYCLOBUT-3-ENE-1,2-DIONE HYDROCHLORIDE
Systematic Name English
PIBUTIDINE MONOHYDROCHLORIDE
Common Name English
PIBUTIDINE HYDROCHLORIDE [JAN]
Common Name English
IT 066
Code English
Code System Code Type Description
CHEBI
32000
Created by admin on Sat Dec 16 07:32:39 UTC 2023 , Edited by admin on Sat Dec 16 07:32:39 UTC 2023
PRIMARY
CAS
126463-66-9
Created by admin on Sat Dec 16 07:32:39 UTC 2023 , Edited by admin on Sat Dec 16 07:32:39 UTC 2023
PRIMARY
PUBCHEM
5282449
Created by admin on Sat Dec 16 07:32:39 UTC 2023 , Edited by admin on Sat Dec 16 07:32:39 UTC 2023
PRIMARY
FDA UNII
IF88DF5F6V
Created by admin on Sat Dec 16 07:32:39 UTC 2023 , Edited by admin on Sat Dec 16 07:32:39 UTC 2023
PRIMARY
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ACTIVE MOIETY