基本情報
- 標準SMILES
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl- InChIKey
GTTBEUCJPZQMDZ-UHFFFAOYSA-N- 分子式
- C22H24ClN3O4
- 平均分子量
- 429.9 g/mol
- 単同位体質量
- 429.14553393
概要
Erlotinib Hydrochloride is the hydrochloride salt of a quinazoline derivative with antineoplastic properties. Competing with adenosine triphosphate, erlotinib reversibly binds to the intracellular catalytic domain of epidermal growth factor receptor (EGFR) tyrosine kinase, thereby reversibly inhibiting EGFR phosphorylation and blocking the signal transduction events and tumorigenic effects associated with EGFR activation.
名称と識別子
- 優先名称
- Erlotinib Hydrochloride
- IUPAC
- N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
名称と別名
Erlotinib hydrochloride183319-69-9erlotinib HClTarcevaOSI-774OSI 774HCl, ErlotinibCP 35877411C erlotinibCP-358,774-01DA87705X9KHydrochloride, Erlotinib
名称をさらに表示
CP-3584-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochlorideCP-358774CHEBI:53509DTXSID10171412CP-358774-01NSC 718781NSC718781
データベース識別子
- CAS
183319-69-9- PubChem CID
- 176871
- DTXSID
DTXSID10171412- ChEMBL
CHEMBL1079742- UNII
- DA87705X9K
- EC Number
- 620-491-0
物性
構造計算による物性
- 極性表面積
- 74.7 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
- 11
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 525
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
安全と法規制
GHS分類
GHS Classification
Danger
H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (91.7%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Erlotinib hydrochloride
vMost-DILI-concern
8
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
化学と産業
薬理情報
FDA Pharmacological Classification
ERLOTINIB HYDROCHLORIDE
Kinase Inhibitor [EPC]; Protein Kinase Inhibitors [MoA]
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Protein kinase inhibitors that inhibit TYROSINE PROTEIN KINASES.
関連反応
58 件
関連ノート
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