ペリチニブ

Pelitinib

HCID 6445562
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基本情報

CAS
257933-82-7
標準SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
InChIKey
WVUNYSQLFKLYNI-AATRIKPKSA-N
分子式
C24H23ClFN5O2
平均分子量
467.9 g/mol
単同位体質量
467.1524308

名称と識別子

優先名称
Pelitinib
IUPAC
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
現地名
ペリチニブ
英語名
PELITINIB
分子式
C24H23ClFN5O2
分子量
467.92

名称と別名

Pelitinib257933-82-7EKB-569EKB 569WAY-EKB 569WAY-EKB-569X5DWL380Z6EKI 569(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamideCHEBI:38927NSC7297422-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-
名称をさらに表示
ペリチニブ(2E)-N-[4-[(3-クロロ-4-フルオロフェニル)アミノ]-3-シアノ-7-エトキシ-6-キノリニル]-4-ジメチルアミノ-2-ブテンアミド(E)-N-[3-シアノ-4-[(4-フルオロ-3-クロロフェニル)アミノ]-7-エトキシキノリン-6-イル]-4-(ジメチルアミノ)-2-ブテンアミド(2E)-N-{4-[(3-クロロ-4-フルオロフェニル)アミノ]-3-シアノ-7-エトキシキノリン-6-イル}-4-(ジメチルアミノ)ブタ-2-エンアミドPelitinib(EKB-569)WAY172569WAY 172569WAY-172569Pelitinib, >=98%EKB-569 PelitinibPeritinib/Belitinib257933-82-7 PELITINIB
(2E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamideDTXSID90870294pelitinibum(E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-dimethylaminobut-2-enamide(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-RefChem:859187DTXCID501509478

データベース識別子

CAS
257933-82-7
PubChem CID
6445562
ChEMBL
CHEMBL607707
ChEBI
CHEBI:38927
UNII
X5DWL380Z6
EC Number
803-625-4
Nikkaji
J3.342.792A

物性

構造計算による物性

XLogP
4.5
極性表面積
90.3 Ų
水素結合供与体数
2
水素結合受容体数
7
回転可能結合数
8
重原子数
33

物理化学的性質

融点
173 · 173-178°C
沸点
655.5 · 655.5±55.0 °C(Predicted)
比重(密度)
1.34 · 1.34
貯蔵温度
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性
5 mg/mL、透明 · DMSO：可溶5mg/mL、透明（加温）
酸解離定数(Pka)
12.23 · 12.23±0.43(Predicted)

化学的性質

化学的特性Off-White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

wgk
3
ridadr
UN 2811 6.1 / PGIII
hs_code
2933.59.8000
risk_code
25
hazard_code
T
safety_code
45

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Agents that inhibit PROTEIN KINASES.

応用分野 · 2 件

説明Pelitinib is a cyanoquinoline that irreversibly inhibits the EGFR receptor tyrosine kinase (IC50 = 39 nM). It inhibits HER2 with a much weaker potency (IC50 = 1.2 μM). By disrupting Akt and MAPK pathways, pelitinib can induce apoptosis and suppress the growth of tumor cell lines, displaying particularly strong efficacy against hepatocellular carcinoma cells (IC50s = ~2 μM).

使用Labelled Pelitinib (P218702). A tyrosine kinase inhibitor; it is used to prepare formulation for treating primary or secondary cancer.

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]

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