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メシル酸レンバチニB

Lenvatinib Mesylate

HCID 11237762
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
857890-39-2
標準SMILES
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O.CS(=O)(=O)O
InChIKey
HWLFIUUAYLEFCT-UHFFFAOYSA-N
分子式
C22H23ClN4O7S
平均分子量
523 g/mol
単同位体質量
522.097598

概要

Lenvatinib mesylate is a methanesulfonate salt obtained by reaction of lenvatinib with one molar equivalent of methanesulfonic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. It has a role as an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a fibroblast growth factor receptor antagonist, a vascular endothelial growth factor receptor antagonist and an orphan drug. It contains a lenvatinib(1+).

名称と識別子

優先名称
Lenvatinib Mesylate
IUPAC
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide;methanesulfonic acid
現地名
メシル酸レンバチニB
英語名
lenvatinib Mesylate
分子式
C22H23ClN4O7S
分子量
522.95862

名称と別名

LENVATINIB MESYLATE857890-39-2Lenvatinib mesilateE7080 MESYLATEE-7080 MESYLATELenvatinib methanesulfonate3J78384F61CHEBI:85995DTXSID90235081N-(4-((6-Carbamoyl-7-methoxyquinolin-4-yl)oxy)-2-chlorophenyl)-N'-cyclopropylurea monomethanesulfonate6-QUINOLINECARBOXAMIDE, 4-(3-CHLORO-4-(((CYCLOPROPYLAMINO)CARBONYL)AMINO)PHENOXY)-7-METHOXY-, METHANESULFONATE (1:1)RefChem:58937
名称をさらに表示
メシル酸レンバチニBレンバチニブメシル酸塩レンバチニブメシル酸塩 (JAN)4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide monomethanesulfonate4-[3chloro-4-(N'-cyclopropylureido)phenoxy]-7-methoxyquinoline-6-carboxamide methanesulfonateCAT#A863437envatinib MesyLLenvatinib MeylateLevatinib mesylateLenvatinib Mesylatlevitinib mesylate
DTXCID90157572Multi-Kinase Inhibitor E7080 Mesylate4-(3-Chloro-4-(N'-cyclopropylureido)phenoxy)7-methoxyquinoline-6-carboxamide MesylatelenvatinibMesylateLenvimaLenvatinib mesylate [USAN]MFCD18633219Lenvatinib (mesylate)

物性

構造計算による物性

極性表面積
178 Ų
水素結合供与体数
4
水素結合受容体数
8
回転可能結合数
6
重原子数
35
形式電荷
0
複雑度
727

実験および物理化学的性質

Human Drugs · 4 件

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

物理化学的性質

融点
220 °C · >220°C (dec.)
貯蔵温度
-20 °C · -20°C Freezer
溶解性
DMSO(微量)、メタノール(微量)
外見
個体
色
ホワイトからオフホワイト
InChIKey
HWLFIUUAYLEFCT-UHFFFAOYSA-N
SMILES
O=C(N)C1C=C2C(N=CC=C2OC2C=C(Cl)C(NC(=O)NC3CC3)=CC=2)=CC=1OC.CS(=O)(O)=O

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P263, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 (25%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Lenvatinib mesylate

Ambiguous-DILI-concern

7

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

安全データ

Hazard Classifications
Repr. 2STOT RE 2
ストレージクラス
11 - Combustible Solids

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Lenvatinib mesylate (lenvatinib) is an oral targeted therapy medicine known as a receptor‐type tyrosine kinase inhibitor. It is a small-molecule drug (a drug that can enter cells easily), which was developed at Eisai in 2015. It was approved by the FDA in 2015 for the treatment of differentiated thyroid cancer that is either locally recurrent, metastatic, or progressive and did not respond to radioactive iodine treatment. In May 2016, the FDA approved the drug as a combination therapy with everolimus for the treatment of advanced renal cell carcinoma. Because VEGF (and fibroblast growth factor receptors, known as FGFRs) are thought to play a role in cardiovascular signaling pathways, VEGF2R and FGFR inhibition are thought to be the mechanisms behind the primary side effect of lenvatinib mesylate, which is hypertension.

使用Lenvatinib mesylate is used in cancer:(1) Endometrial carcinoma that is advanced and got worse after other systemic therapies. It is used with pembrolizumab in patients whose cancer is not microsatellite instability-high (MSI-H) or mismatch repair deficient (dMMR) and cannot be treated with surgery or radiation therapy.(2) Hepatocellular carcinoma (a type of liver cancer). It is used as the first treatment in patients whose cancer cannot be removed by surgery.(3) Renal cell carcinoma (a type of kidney cancer) that is advanced(4)Thyroid cancer in certain patients whose cancer got worse, came back, or has spread to other parts of the body and did not respond to treatment with radioactive iodine.(5) Lenvatinib Mesylate is used in preparation of anti-human CTLA4xPD-1 bispecific antibodies for diagnosis, prevention and treatment of tumor or anemia.Lenvatinib mesylate is also being studied in the treatment of other types of cancer.

上流・下流製品情報

上流原料

レンバチニブメタンスルホン酸

関連反応

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化合物ノート

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データベース識別子

CAS
857890-39-2
PubChem CID
11237762
DTXSID
DTXSID90235081
ChEMBL
CHEMBL2105704
ChEBI
CHEBI:85995
UNII
3J78384F61
EC Number
812-398-0
補足説明 · 1 件

定義ChEBI: Lenvatinib mesylate is a methanesulfonate salt obtained by reaction of lenvatinib with one molar equivalent of methanesulfonic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a fibroblast growth factor receptor antagonist, an orphan drug, a vascular endothelial growth factor receptor antagonist and an antineoplastic agent. It contains a lenvatinib(1+).