바탈라닙베이스

Vatalanib

HCID 151194
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기본 정보

CAS
212141-54-3
표준 SMILES
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIKey
YCOYDOIWSSHVCK-UHFFFAOYSA-N
분자식
C20H15ClN4
평균 분자량
346.8 g/mol
단동위원소 질량
346.09852416

개요

Vatalanib is a member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a vascular endothelial growth factor receptor antagonist. It is a member of pyridines, a member of phthalazines, a secondary amino compound and a member of monochlorobenzenes.

이름 및 식별자

우선 이름
Vatalanib
IUPAC
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
현지명
바탈라닙베이스
영어명
Vatalanib base
분자식
C20H15ClN4
분자량
346.81

이름 및 동의어

Vatalanib212141-54-3N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-aminePynasunateVatalinibPTK787CGP 79787CGP-79787DTXSID2046919ZK-232934NVP-PTK787ZK222584
이름 더 보기
바탈라닙베이스VataLPTK787 2HClVatalanib HClVatalanib 2HCLVATALANIB BASEPTK787 free basePTK/ZK free baseVatalanib (PTK787)anib (PTK787) 2HCL
5DX9U76296BAY-86-5127N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamineDTXCID0026919CHEBI:90620K-222584NSC719335vatalanibum

데이터베이스 식별자

CAS
212141-54-3
PubChem CID
151194
DTXSID
DTXSID2046919
ChEMBL
CHEMBL101253
ChEBI
CHEBI:90620
UNII
5DX9U76296
Nikkaji
J1.327.398G

물성

구조 계산 물성

XLogP
4.5
극성 표면적
50.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
25

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section187.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5049073]

물리화학적 성질

녹는점
209 · 209-212°
끓는 점
587.8 · 587.8±50.0 °C(Predicted)
밀도
1.33 · 1.330±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C(protect from light)
용해도
16.85 mg/mL · ≥16.85 mg/mL in DMSO; ≥3.0125 mg/mL in EtOH with gentle warming and ultrasonic; ≥32.53 mg/mL in H2O with gentle warming and ultrasonic
물리적 상태
고체

안전 및 규제

안전 데이터

HS 번호
2933399990

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Vatalanib is a novel oral angiogenesis inhibitor being developed by Schering (in collaboration with Novartis AG). Vatalanib selectively inhibits the tyrosine kinase domains of vascular endothelial growth factor (VEGF) receptors, platelet-derived growth factor (PDGF) receptor, and c-KIT.

Mechanism of ActionVatalanib potently inhibits vascular endothelial growth factor (VEGF) receptor tyrosine kinases, important enzymes in the formation of new blood vessels that contribute to tumor growth and metastasis.
Biological Half-LifeApproximately 6 hours.
Metabolism/MetabolitesMainly through oxidative metabolism. Two pharmacologically inactive metabolites, CGP 84368/ZK 260120 and NVP AAW378/ZK 261557, having systemic exposure comparable to that of vatalanib, contributed mainly to the total systemic exposure.
MeSH Pharmacological ClassificationAgents that inhibit PROTEIN KINASES.
Absorption, Distribution and ExcretionRapid onset of absorption

응용 분야

용도Vatalanib (PTK787) is an inhibitor of VEGFR2/KDR, Flt-1 and c-Kit with IC50 of 37 nM, 77 nM and 730 nM, respectively.

상·하류 제품 정보

공급사83 곳

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
추가 설명 · 1건

정의ChEBI: A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibit r for all isoforms of VEGFR, PDGFR and c-Kit.

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