甲氨蝶呤水合物

CAS号
59-05-2 ;133073-73-1
CCD编号
CCD00074877
分子式
C20 H22 N8 O5 . H2 O
分子量
472.46

基本信息

产品名称: 甲氨蝶呤水合物
CAS: 59-05-2 ;133073-73-1
中文同义词: 对-[(2,4-二氨基喋啶-6)-N-甲基甲氨基]苯甲酰谷氨酸水合物 ; N-[4-[[(2,4-二氨基-6-蝶啶)甲基]甲氨基]苯甲酰]-L-谷氨酸水合物 ; 甲氨蝶呤水合物 ; 甲氨蝶呤 ; 胺甲喋呤水合物 ; L(+)-甲氨喋呤 ; 磷酸四钙
英文同义词: L-4-AMINO-N10-METHYLPTEROYLGLUTAMIC ACID HYDRATE ; METHYLAMINOPTERIN HYDRATE ; METHOTREXATE HYDRATE ; MTX HYDRATE ; METHOTREXATE ; L-(+)-4-AMINO-N10-METHYLPTEROYLGLUTAMIC ACID HYDRATE ; TETRACALCIUM PHOSPHATE ; ANTIFOLAN HYDRATE ; L-(+)-AMETHOPTERIN HYDRATE ; (+)-AMETHOPTERIN HYDRATE ; 4-AMINO-10-METHYLFOLIC ACID HYDRATE ; METHOXTREXATE ; L-AMETHOPTERIN HYDRATE
MDL号: MFCD00150847
氢键受体数量: 13
氢键供体数量: 5
Smile: CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O
InChi: 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
InChiKey: InChIKey=FPJYMUQSRFJSEW-ZOWNYOTGSA-N

性质

注解: APPLICATION: 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-RESISTANT PLASMODIUM VIVAX MALARIA PARASITES
APPLICATION: POTENT 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, EG, RHEUMATOID ARTHRITIS
OPTICAL ACTIVITY: [ALPHA]25/D +17 DEG, C = 1 IN 0.05 M NA2CO3
RIDADR: UN 1544 6.1/PG 3
UNSPSC: 12352100
WGK: 3

安全信息

符号: GHS06 GHS06 GHS08 GHS08
信号词: Danger
危险声明: H301-H315-H319-H360
警示性声明: P201-P301 + P310-P305 + P351 + P338-P308 + P313
危害码: T
风险声明: R:61-25-36/38
安全声明: S:53-26-36/37-45
WGK德国: 3

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