Amuvatinib

HCID 11282283

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기본 정보

CAS: 850879-09-3
표준 SMILES: S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIKey: FOFDIMHVKGYHRU-UHFFFAOYSA-N
분자식: C23H21N5O3S
평균 분자량: 447.5 g/mol
단동위원소 질량: 447.13651053

개요

N-(1,3-benzodioxol-5-ylmethyl)-4-(4-benzofuro[3,2-d]pyrimidinyl)-1-piperazinecarbothioamide is a N-arylpiperazine.

이름 및 식별자

우선 이름: Amuvatinib
IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide
영어명: Amuvatinib
분자식: C23H21N5O3S
분자량: 447.51

이름 및 동의어

Amuvatinib850879-09-3MP470MP-470MP 470HPK56HPK 56HPK-56SO9S6QZB4RDTXSID502341761-Piperazinecarbothioamide, N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro(3,2-d)pyrimidin-4-yl-1-Piperazinecarbothioamide, N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidin-4-yl-

이름 더 보기

CS-460MP-470(MP 470)AMuvatinib (MP-470)MP-470 (Amuvatinib)MP470 AMUVATINIB (MP-470)Amuvatinib, 10 mM in DMSO

amuvatinibumN-(1,3-benzodioxol-5-ylmethyl)-4-((1)benzoxolo(2,3-e)pyrimidin-4-yl)piperazine-1-carbothioamideN-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzoxolo[2,3-e]pyrimidin-4-yl)piperazine-1-carbothioamideN-(1,3-Benzodioxol-5-ylmethyl)-4-(benzofuro(3,2-d)pyrimidin-4-yl)piperazine-1-carbothioamideN-(1,3-benzodioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamideRefChem:557931DTXCID50156667Receptor Tyrosine Kinase Inhibitor MP470

데이터베이스 식별자

CAS: 850879-09-3
PubChem CID: 11282283
DTXSID: DTXSID50234176
ChEMBL: CHEMBL2103851
ChEBI: CHEBI:91389
UNII: SO9S6QZB4R
Nikkaji: J3.304.639A

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 108 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 32
형식 전하: 0
복잡도: 678

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

밀도: 1.443 · 1.443
저장 조건: -20 °C · Store at -20°C
용해도: 22.4 mg/mL · ≥22.4 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
물리적 상태: 고체
색상: White to off-white

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

약리 정보

Absorption, Distribution and ExcretionOrally available

응용 분야 · 2건

개요Amuvatinib (also known as MP-470 or 850879-09-3), is a multi-targeted inhibitor of receptor tyrosine kinases that inhibits c-Kit, platelet-derived growth factor receptor α (PDGFRα), and c-Met (IC50s = 10, 40, and 81 nM, respectively). It inhibits growth and induces apoptosis in prostate cancer cell lines, with additive effects achieved when combined with erlotinib . Amuvatinib sensitizes cancer cells to radiation and chemotherapeutic compounds, in part by inhibiting homologous recombination.

용도MP-470 (Amuvatinib) is a potent and multi-targeted inhibitor of c-KitD816H, PDGFαV561D and Flt3D835Y with IC50 of 10 nM, 40 nM and 81 nM, respectively.