Pri-724
기본 정보
- CAS
1198780-38-9- 표준 SMILES
C[C@H]1[C@H]2N(C(=O)CN(C)N2C(=O)NCc2ccccc2)[C@@H](Cc2ccc(OP(=O)(O)O)cc2)C(=O)N1Cc1cccc2cccnc12- InChIKey
VHOZWHQPEJGPCC-AZXNYEMZSA-N- 분자식
- C33H35N6O7P
- 평균 분자량
- 658.6 g/mol
- 단동위원소 질량
- 658.23048447
개요
PRI-724 is under investigation in clinical trial NCT03620474 (Safety and Effectiveness of PRI-724 for Hepatitis C or B Virus Derived Liver Cirrhosis).
이름 및 식별자
- 우선 이름
- Pri-724
- IUPAC
- [4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate
- 영어명
- 4-{[(6S,9S)-1-(benzylcarbaMoyl)-2,9-diMethyl-4,7-dioxo-8-(quinolin-8-ylMethyl)-octahydro-1H-piperazino[2,1-c][1,2,4]triazin-6-yl]Methyl}phenoxy)phosphonic acid
- 분자식
- C33H35N6O7P
- 분자량
- 658.64
이름 및 동의어
PRI-7241198780-38-9RefChem:175999(4-(((6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-((quinolin-8-yl)methyl)-octahydro-1H-pyrazino(2,1-c)(1,2,4)triazin-6-yl)methyl)phenoxy)phosphonic acidFoscenvivint1422253-38-0Foscenvivint [INN](S,S)-ICG-001PRI72443Y934BBZ6[4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate4-(((6S,9S,9AS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)octahydro-2H-pyrazino[2,1-c][1,2,4]triazin-6-yl)methyl)phenyl dihydrogen phosphate
이름 더 보기
C-82PRI-724, PRI724β-catenin/CBP-IN-1β-catenin/CBP-IN-1βcatenin/CBPIN1,β catenin/CBP IN 14-{[(6S,9S)-1-(benzylcarbaMoyl)-2,9-diMethyl-4,7-dioxo-8-(quinolin-8-ylMethyl)-octahydro-1H-piperazino[2,1-c][1,2,4]triazin-6-yl]Methyl}phenoxy)phosphonic acid4-(((6S,9S)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)octahydro-1H-pyrazino[2,1-c][1,2,4]triazin-6-yl)methyl)phenyl dihydrogen phosphate4-(((6S,9S)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)octahydro- 2H-pyrazino[2,1-c][1,2,4]triazin-6-yl)methyl)phenyl dihydrogen phosphate2H-Pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide, hexahydro-2,9-dimethyl-4,7-dioxo-N-(phenylmethyl)-6-[[4-(phosphonooxy)phenyl]methyl]-8-(8-quinolinylmethyl)-, (6S,9S)-
CHEMBL5274107(6S,9S,9aS)-Hexahydro-2,9-dimethyl-4,7-dioxo-N-(phenylmethyl)-6-[[4-(phosphonooxy)phenyl]methyl]-8-(8-quinolinylmethyl)-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide2H-Pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide, hexahydro-2,9-dimethyl-4,7-dioxo-N-(phenylmethyl)-6-((4-(phosphonooxy)phenyl)methyl)-8-(8-quinolinylmethyl)-, (6S,9S,9aS)-4-(((6S,9S,9aS)-1-(Benzylcarbamoyl)-2,9-dimethyl-4,7- dioxo-8-((quinolin-8-yl)methyl)octahydro-2hpyrazino(2,1-C)(1,2,4)triazin-6-yl)methyl)phenyl dihydrogen phosphateC33H35N6O7PPRI-724 PhosphateFoscenvivint (JAN/INN)UNII-43Y934BBZ6
데이터베이스 식별자
- CAS
1198780-38-9、1422253-38-0- PubChem CID
- 71509318
- DTXSID
DTXSID301358964- ChEMBL
CHEMBL5274107- UNII
- 43Y934BBZ6
- EC Number
- 855-902-4
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,170
물리화학적 성질
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.26 · 1.26±0.30(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSTOT SE 2 (100%)
관련 반응
0건
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