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
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
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 |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/22824275 | http://adisinsight.springer.com/drugs/800022635Curator's Comment: Description was created based on several sources, including https://www.pharmacodia.com/yaodu/html/v1/chemicals/127d2e587fe09591c67b04c7c7190479.html
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22824275 | http://adisinsight.springer.com/drugs/800022635
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
Sources: http://adisinsight.springer.com/drugs/800022635
Curator's Comment: # Pfizer
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19501510 |
4.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
50 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22077102 |
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
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
1.6% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22077102 |
unknown, unknown |
UK-432097 blood | Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN |
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
Drug as perpetrator
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
yes | ||||
Sources: https://jim.bmj.com/content/64/3/803.2 |
yes | |||
yes | ||||
yes |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT00430300
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
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27818940
UK-432097 (1uM) potently increased beta-cell proliferation in mouse islets in vitro
Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:31:41 GMT 2025
by
admin
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Mon Mar 31 18:31:41 GMT 2025
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Record UNII |
8L3OAJ1R5A
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Record Status |
Validated (UNII)
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CHEMBL1096896
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8L3OAJ1R5A
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9833519
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300000041475
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UK-432,097
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DTXSID70431408
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380221-63-6
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DB12691
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ACTIVE MOIETY |
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