ATIRATECAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H34N6O6
Molecular Weight	586.6383
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCN1C=NC2=CC=CC3=C2C1=C4CN5C(=CC6=C(COC(=O)[C@@]6(CC)OC(=O)CN(C)C(=O)CN)C5=O)C4=N3

InChI

InChIKey=CWJSAEZZZABNRI-HKBQPEDESA-N

InChI=1S/C31H34N6O6/c1-4-6-7-11-36-17-33-21-9-8-10-22-26(21)28(36)18-14-37-23(27(18)34-22)12-20-19(29(37)40)16-42-30(41)31(20,5-2)43-25(39)15-35(3)24(38)13-32/h8-10,12,17H,4-7,11,13-16,32H2,1-3H3/t31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H34N6O6
Molecular Weight	586.6383
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://adisinsight.springer.com/drugs/800024385 | https://www.ncbi.nlm.nih.gov/pubmed/21975380

Atiratecan (previously known as CH4556300 or TP300), the prodrug of a topoisomerase 1 inhibitor, CH0793076. Atiratecan has been studied in phase II clinical trials to treat cancers (e.g., colorectal cancer; gastric cancer; esophageal cancer), but these studies were suspended.

Originator

Approval Year

PubMed

Title	Date	PubMed
Method development and validation of the simultaneous determination of a novel topoisomerase 1 inhibitor, the prodrug, and the active metabolite in human plasma using column-switching LC-MS/MS, and its application in a clinical trial.	2011 Nov 15	21975380

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:43:37 GMT 2023` Edited by `admin` on `Sat Dec 16 16:43:37 GMT 2023`
Record UNII	B0AMG37FFR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATIRATECAN

Official Name

English

Atiratecan [WHO-DD]

Common Name

English

(9S)-9-ETHYL-10,13-DIOXO-1-PENTYL-9,10,13,15-TETRAHYDRO-1H,12HPYRANO(3'',4'':6',7')INDOLIZINO(2',1':5,6)PYRIDO(4,3,2-DE)QUINAZOLIN-9-YL GLYCYL-N-METHYLGLYCINATE

Common Name

English

atiratecan [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2843