Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H22N4O5 |
| Molecular Weight | 398.4125 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)\N=N\C1=CC=C(C=C1)C(=O)C2=CC=C(OCCC(=O)NCC(O)=O)C=C2
InChI
InChIKey=VJRVZEJVUUHRRS-GHVJWSGMSA-N
InChI=1S/C20H22N4O5/c1-24(2)23-22-16-7-3-14(4-8-16)20(28)15-5-9-17(10-6-15)29-12-11-18(25)21-13-19(26)27/h3-10H,11-13H2,1-2H3,(H,21,25)(H,26,27)/b23-22+
| Molecular Formula | C20H22N4O5 |
| Molecular Weight | 398.4125 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:36:22 GMT 2023
by
admin
on
Sat Dec 16 10:36:22 GMT 2023
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| Record UNII |
G8XHQ3A39H
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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1421747-32-1
Created by
admin on Sat Dec 16 10:36:23 GMT 2023 , Edited by admin on Sat Dec 16 10:36:23 GMT 2023
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G8XHQ3A39H
Created by
admin on Sat Dec 16 10:36:23 GMT 2023 , Edited by admin on Sat Dec 16 10:36:23 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Originator: TRIN Pharma; Developer: Trin Therapeutics; Class: Antineoplastic, Small molecule, Triazene; Mechanism of Action: Apoptosis stimulant; Highest Development Phases: Phase I for Sarcoma, Solid tumours; Most Recent Events: 09 Nov 2009 Phase-I clinical trials in Solid tumours in Germany (unspecified route), 09 Nov 2009 Preclinical trials in Solid tumours in Germany (unspecified route)
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ACTIVE MOIETY |
Results: In the dose range between 25 mg and 3.200 mg most frequent AEs were CTC grade 1-2 nausea and vomiting. No hematologic toxicity has been observed so far. In a dose range between 25 mg and 1.600 mg, the PK could be described by a linear model. Doubling the dose from 1.600 to 3.200 mg, AUC as well as Cmax increased more than 3fold, indicating a change to nonlinearity. This phenomenon was also obtained for the main metabolite M1 bearing the triazene group, thus to be considered as an active metabolite.
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