CAS 1000873-98-2 Tivantinib (HCID 11494412)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1000873-98-2
표준 SMILES: O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12
InChIKey: UCEQXRCJXIVODC-PMACEKPBSA-N
분자식: C23H19N3O2
평균 분자량: 369.4 g/mol
단동위원소 질량: 369.14772685

개요

LSM-1131 is a member of indoles.

이름 및 식별자

우선 이름: Tivantinib
IUPAC: (3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
영어명: (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
분자식: C23H19N3O2
분자량: 369.41586

이름 및 동의어

Tivantinib905854-02-6ARQ-197(3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dioneARQ 197ARQ197PJ4H73IL17DTXSID60920316(3R,4R)-3-(5,6-Dihydro-4H-pyrrolo(3,2,1-ij)quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dionetivantinibumRefChem:898517c-Met Inhibitor ARQ 197

이름 더 보기

DTXCID301349230(3R,4R)-3-(1-azatricyclo(6.3.1.0^(4,12))dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dioneTivantinib (ARQ 197)905853-99-8(rel)-Tivantinibrel-(3R,4R)-3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-2,5-pyrrolidinedioneMFCD119775971000873-98-2

데이터베이스 식별자

CAS: 1000873-98-2、905854-02-6
PubChem CID: 11494412
DTXSID: DTXSID60920316
ChEMBL: CHEMBL2103882
ChEBI: CHEBI:91398
UNII

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 66.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 28
형식 전하: 0
복잡도: 666

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesRepr. 1B (100%)

화학 및 산업

약리 정보

Mechanism of Action · 1건

Tivantinib mediates its effects by inhibiting the activity of c-Met, a receptor tyrosine kinase that plays multiple key roles in human cancer, including cancer cell growth, survival, angiogenesis, invasion and metastasis. C-Met is abnormally activated in most cancers and is believed to control multiple signal transduction pathways involved in tumor growth and metastasis.