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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H47N11O6
Molecular Weight 777.8713
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UK-432097

SMILES

CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NCCNC(=O)NC6CCN(CC6)C7=CC=CC=N7

InChI

InChIKey=ZOTHAEBAWXWVID-HXEFRTELSA-N
InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H47N11O6
Molecular Weight 777.8713
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: Description was created based on several sources, including https://www.pharmacodia.com/yaodu/html/v1/chemicals/127d2e587fe09591c67b04c7c7190479.html

UK-432097 is a selective adenosine A2a agonist which was in development with Pfizer as an inhaled treatment for asthma and chronic obstructive pulmonary disease. UK-432097 had been in phase II clinical trials by Pfizer for the treatment of chronic obstructive pulmonary disease (COPD). However, this study was terminated prematurely due to futility based on results of interim analysis.

Originator

Curator's Comment: # Pfizer

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
4.0 nM [IC50]
Conditions

Conditions

Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
50 pg/mL
4500 μg single, respiratory
dose: 4500 μg
route of administration: Respiratory
experiment type: SINGLE
co-administered:
UK-432097 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
1.6%
unknown, unknown
UK-432097 blood
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer




Drug as perpetrator​
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

In Vivo Use Guide
Curator's Comment: administered using an atomizer device
Formulated as a dry powder, supplied as capsules and administered using an atomizer device. Given as either 150mcg, 450mcg or 1350mcg BID.
Route of Administration: Intratracheal
UK-432097 (1uM) potently increased beta-cell proliferation in mouse islets in vitro
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:31:41 GMT 2025
Edited
by admin
on Mon Mar 31 18:31:41 GMT 2025
Record UNII
8L3OAJ1R5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UK-432097
Common Name English
UK-432,097
Preferred Name English
.BETA.-D-RIBOFURANURONAMIDE, 1-DEOXY-1-(6-((2,2-DIPHENYLETHYL)AMINO)-2-(((2-((((1-(2-PYRIDINYL)-4-PIPERIDINYL)AMINO)CARBONYL)AMINO)ETHYL)AMINO)CARBONYL)-9H-PURIN-9-YL)-N-ETHYL-
Systematic Name English
6-((2,2-DIPHENYLETHYL)AMINO)-9-(N-ETHYL-.BETA.-D-RIBOFURANOSYLURONAMIDE)-N-(2-(N'-(1-(2-PYRIDYL)-4-PIPERIDYL)UREIDO)ETHYL)-9H-PURINE-2-CARBOXAMIDE
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL1096896
Created by admin on Mon Mar 31 18:31:41 GMT 2025 , Edited by admin on Mon Mar 31 18:31:41 GMT 2025
PRIMARY
FDA UNII
8L3OAJ1R5A
Created by admin on Mon Mar 31 18:31:41 GMT 2025 , Edited by admin on Mon Mar 31 18:31:41 GMT 2025
PRIMARY
PUBCHEM
9833519
Created by admin on Mon Mar 31 18:31:41 GMT 2025 , Edited by admin on Mon Mar 31 18:31:41 GMT 2025
PRIMARY
SMS_ID
300000041475
Created by admin on Mon Mar 31 18:31:41 GMT 2025 , Edited by admin on Mon Mar 31 18:31:41 GMT 2025
PRIMARY
WIKIPEDIA
UK-432,097
Created by admin on Mon Mar 31 18:31:41 GMT 2025 , Edited by admin on Mon Mar 31 18:31:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID70431408
Created by admin on Mon Mar 31 18:31:41 GMT 2025 , Edited by admin on Mon Mar 31 18:31:41 GMT 2025
PRIMARY
CAS
380221-63-6
Created by admin on Mon Mar 31 18:31:41 GMT 2025 , Edited by admin on Mon Mar 31 18:31:41 GMT 2025
PRIMARY
DRUG BANK
DB12691
Created by admin on Mon Mar 31 18:31:41 GMT 2025 , Edited by admin on Mon Mar 31 18:31:41 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY