Lapatinib Ditosylate

HCID 11557040

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 388082-77-7
표준 SMILES: CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O
InChIKey: XNRVGTHNYCNCFF-UHFFFAOYSA-N
분자식: C43H44ClFN4O11S3
평균 분자량: 943.5 g/mol

개요

Lapatinib ditosylate monohydrate is a member of quinazolines.

이름 및 식별자

우선 이름: Lapatinib Ditosylate
IUPAC: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;bis(4-methylbenzenesulfonic acid);hydrate
영어명: Lapatinib Ditosylate
분자식: C36H34ClFN4O7S2
분자량: 753.26

이름 및 동의어

Tyverblapatinib tosilateTycerbGW572016FLapatinib tosilate hydrateGW-572016FG873GX646RLapatinib ditoluenesulfonate monohydrate4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl), bis(4-methylbenzenesulfonate), monohydrateN-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrateN-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]furan-2-yl]quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrateRefChem:55454

이름 더 보기

Tykerb Ditosylatapatinib DitosyLTykerb DitosylateTykerb(lapatinib)Lapatinib TosylateGW-572016 ditosylateGW 572016 ditosylateLapatinib ditasylate

Lapatinib Ditosylate388082-78-8Lapatinib ditosylate hydrateLAPATINIB DITOSYLATE MONOHYDRATETykerbLapatinib Ditosylate [USAN]N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid;hydrateLapatinib Ditosylate (Tykerb, Tyverb, GW-572016)

데이터베이스 식별자

CAS: 388082-77-7、388082-78-8
PubChem CID: 11557040
ChEMBL: CHEMBL1201179
ChEBI: CHEBI:192581
UNII: G873GX646R
EC Number: 879-201-8

물성

구조 계산 물성

극성 표면적: 241 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 16
회전 가능 결합 수: 13
무거운 원자 수: 63
형식 전하: 0
복잡도: 1,100

실험 및 물리화학적 성질

Human Drugs · 3건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점: 240 · 240-2420C
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: 24.3 mg/mL · ≥24.3 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
물리적 상태: 고체
색상: Light yellow to yellow
수용성: Water: Insoluble

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P263, P264, P270, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (50%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Lapatinib ditosylate

vMost-DILI-concern

Box warning

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

HS 번호: 29420000
safety_code: 24/25

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Protein kinase inhibitors that inhibit TYROSINE PROTEIN KINASES.

응용 분야 · 2건

개요Lapatinib, an ErB-1 and ErB-2 dual kinase inhibitor, was launched for the treatment of advanced or metastatic HER2 (ErbB2) positive breast cancer in women who have received prior therapy. The drug was discovered and developed by GlaxoSmithKline and is also currently being evaluated for several additional cancer indications.

용도Lapatinib Ditosylate (GW572016, GW2016, Tykerb, Tyverb) is a potent EGFR and ErbB2 inhibitor with IC50 of 10.8 and 9.2 nM, respectively.