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Product details

名称

甲氨蝶呤水合物

分子类型

小分子

别名

对-[(2,4-二氨基喋啶-6)-N-甲基甲氨基]苯甲酰谷氨酸水合物 | L-氨甲喋呤水合物, MTX 水合物 | 氟安定水合物 | 氨甲叶酸水合物 | 氨甲喋呤水合物

英文别名

英文名称

Methotrexate hydrate

货号

M476589-1g

包装规格

级别

PharmPure™

浓度

≥99%

储存温度

避光,-20°C储存,充氩

运输条件

超低温冰袋运输

敏感性

对湿度敏感；对光敏感

产品介绍

应用二氢叶酸还原酶的有效抑制剂和抗肿瘤的研究试剂。用于抑制二氢叶酸还原酶在DHFR蛋白表达系统中的表达。还可有效治疗耐甲氧嘧啶的间日疟原虫。二氢叶酸还原酶的有效抑制剂和抗肿瘤的研究试剂。用于抑制二氢叶酸还原酶在DHFR蛋白表达系统中的表达。也显示免疫抑制作用，如类风湿关节炎。甲氨蝶呤水合物已用于：用于球状体形成分析培养物中的二氢叶酸(DHFR)抑制剂用作杜氏改良Eagles培养基（DMEM）组分，筛选转染细胞活力和共培养分析 Description Methotrexate hydrate has been used:as a dihydrofolate (DHFR) inhibitor in sphere forming assay cultureas a component of dulbecco′ modified Eagle′s medium (DMEM) for selection of transfected cellsin viability and co-culture assaysPotent inhibitor of dihydrofolate reductase and agent for antitumor studies. Use to inhibit dihydrofolate reductase in DHFR-based protein expression systems. Also shows immunosuppressive effects in, e.g., rheumatoid arthritis.Potent inhibitor of dihydrofolate reductase and agent for antitumor studies. Use to inhibit dihydrofolate reductase in DHFR-based protein expression systems. Also effective in treatment of pyrimethamine-resistantPlasmodium vivaxmalaria parasites.

生化机理

甲氨蝶呤是叶酸拮抗剂。甲氨蝶呤被用于抑制二羟叶酸还原酶，并选择DHFR过表达。

CAS号

133073-73-1

分子式

C20H22N8O5·xH2O

分子量

454.44 (anhydrous basis) g/mol

Beilstein号

70669

MDL号

MFCD00150847

PubChem编号

165528

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O

IIUPAC Name

(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate

INCHI

1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1

InChi Key

FPJYMUQSRFJSEW-ZOWNYOTGSA-N

Smiles

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O

关联CAS

59-05-2；6745-93-3

溶解性

H2O：不溶

熔点

205℃

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

472.182 Da

单同位素质量Monoisotopic Mass

472.182 Da

拓扑极表面积Topological Polar Surface Area

212.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

704.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

比旋光度

21 ° (C=0.1, 1N NaOH)

ALogP

-1.8

Merck Index

5985

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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