Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H21N3O5S2 |
| Molecular Weight | 447.528 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)C1=CC(C)=CC(C)=C1NC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C)C(C)=NO3
InChI
InChIKey=IAYNHDZSSDUYHY-UHFFFAOYSA-N
InChI=1S/C20H21N3O5S2/c1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h6-9,23H,1-5H3,(H,21,25)
| Molecular Formula | C20H21N3O5S2 |
| Molecular Weight | 447.528 |
| 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
Mon Mar 31 18:27:10 GMT 2025
by
admin
on
Mon Mar 31 18:27:10 GMT 2025
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| Record UNII |
BDP0YZR82B
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Name | Type | Language | ||
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Preferred Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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TBC-3711
Created by
admin on Mon Mar 31 18:27:10 GMT 2025 , Edited by admin on Mon Mar 31 18:27:10 GMT 2025
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PRIMARY | TBC-3711 had been in phase II clinical trials for the treatment resistant hypertension. However, this study has been terminated.The compound was developed by Encysive, acquired by Pfizer in 2008. | ||
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DB05407
Created by
admin on Mon Mar 31 18:27:10 GMT 2025 , Edited by admin on Mon Mar 31 18:27:10 GMT 2025
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300000042588
Created by
admin on Mon Mar 31 18:27:10 GMT 2025 , Edited by admin on Mon Mar 31 18:27:10 GMT 2025
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BDP0YZR82B
Created by
admin on Mon Mar 31 18:27:10 GMT 2025 , Edited by admin on Mon Mar 31 18:27:10 GMT 2025
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349453-49-2
Created by
admin on Mon Mar 31 18:27:10 GMT 2025 , Edited by admin on Mon Mar 31 18:27:10 GMT 2025
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9911482
Created by
admin on Mon Mar 31 18:27:10 GMT 2025 , Edited by admin on Mon Mar 31 18:27:10 GMT 2025
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PRIMARY |
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |
As a result, TBC3711 (7z) was identified as our second endothelin antagonist to enter the clinic due to its good oral bioavailability (100%) in rats, high potency (ETA IC50 = 0.08 nM), and optimal ETA/ETB selectivity (441000-fold). Compound 7z has completed phase-I clinical development and was well tolerated with desirable pharmacokinetics in humans (t1/2 = 67 h, oral availability > 80%).
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