基本情報
- CAS
82952-64-5- 標準SMILES
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O- InChIKey
ZCJXQWYMBJYJNB-LRDBBFHQSA-N- 分子式
- C25H33N5O10
- 平均分子量
- 563.6 g/mol
- 単同位体質量
- 563.22274227
概要
Trimetrexate Glucuronate can cause developmental toxicity according to state or federal government labeling requirements.
名称と識別子
- 優先名称
- Trimetrexate Glucuronate
- IUPAC
- 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
- 現地名
- グルクロン酸トリメトレキサート
- 英語名
- Trimetrexate glucuronate
- 分子式
- C19H23N5O3.C6H10O7
- 分子量
- 563.56
名称と別名
TRIMETREXATE GLUCURONATE82952-64-5Trimetrexate D-glucuronateNSC-352122L137U4A79KDTXSID902739682,4-Diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline mono-D-glucuronateNSC352122trimetrexate glucuronic acid combinationRefChem:56176DTXCID90196461Trimetrexate (glucuronate)
名称をさらに表示
グルクロン酸トリメトレキサートCI 898 dihydrochlorideCI 898 TRIHYDROCHLORIDE5-Methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine D-glucuronate5-Methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-2,4-quinazolinediaminetrihydrochloride
Trimetrexate glucuronate [USAN]CI 898 D-Glucuronic Acid Salt (Trimetrexate D-Glucuronic Acid Salt)2,4-Quinazolinediamine, 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-, mono-D-glucuronate5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acidTrimetrexate glucuronate (USAN)Neutrexin (TN)DRG-0183NSC 352122
データベース識別子
物性
構造計算による物性
- 極性表面積
- 253 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 15
- 回転可能結合数
- 11
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 648
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 外見
- Solid
- 色
- Off-white to light yellow
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
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationHazard Traits - Developmental Toxicity
Hazard Classes and CategoriesRepr. 2 (100%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Trimetrexate glucuronate
Ambiguous-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H361
化学と産業
応用分野
説明Trimetrexate glucuronate is a nonclassical antifolate introduced in the U.S.A. and Canada as second-line therapy for the treatment of Pneumocystis carinii pneumonia (PCP) and toxoplasmosis in AIDS patients who are refractory or intolerant to co-trimoxazole therapy. Trimetrexate glucuronate is reportedly to be in clinical trials for the treatment of several types of cancer including colorectal, gastric, pancreas, prostate, bladder, lung, breast, head, and neck cancers. It is also in early clinical trials for topical use in treating psoriasis and as an oral drug to treat rheumatoid arthritis. The mechanism of action of trimetrexate glucuronate is via inhibition of the enzyme dihydrofolate reductase which mediates the reduction of dihydrofolate to tetrahydrofolic acid and results in disruption of DNA, RNA and protein synthesis, with consequent cell death. Due to its toxicity to bone marrow and the GI tract, trimetrexate glucuronate must be concurrently administered with leucovorin as a rescue agent.
使用Antineoplastic.
上流・下流製品情報
上流原料
サプライヤー8 社
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
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