Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H14N6S |
| Molecular Weight | 322.388 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC(CN2C=C3C(=N2)N=C(N=C3N)C4=NSC=C4)=CC=C1
InChI
InChIKey=XCADTDINRZIVIN-UHFFFAOYSA-N
InChI=1S/C16H14N6S/c1-10-3-2-4-11(7-10)8-22-9-12-14(17)18-16(19-15(12)20-22)13-5-6-23-21-13/h2-7,9H,8H2,1H3,(H2,17,18,19,20)
| Molecular Formula | C16H14N6S |
| Molecular Weight | 322.388 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:16:35 GMT 2025
by
admin
on
Wed Apr 02 19:16:35 GMT 2025
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| Record UNII |
VDV8KB3JJB
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| Record Status |
Validated (UNII)
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| Record Version |
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| Code System | Code | Type | Description | ||
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146268692
Created by
admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
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2400864-80-2
Created by
admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
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C179629
Created by
admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
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VDV8KB3JJB
Created by
admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Orally bioavailable immune checkpoint inhibitor and antagonist of the adenosine A2A receptor, with potential immunomodulating and antineoplastic activities.
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![Structure of 6-(3-Isothiazolyl)-2-[(3-methylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine](/img/7577e30f-9697-482a-8ccb-179a1db2e061.svg "Structure of 6-(3-Isothiazolyl)-2-[(3-methylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine")