Name: Methotrexate hydrate
Brand: SIGMA

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About This Item

실험식(Hill 표기법):

C₂₀H₂₂N₈O₅ · xH₂O

CAS Number:

133073-73-1

Molecular Weight:

454.44 (anhydrous basis)

EC Number:

200-413-8

MDL number:

MFCD00150847

UNSPSC 코드:

12352202

PubChem Substance ID:

329748247

NACRES:

NA.77

기술 서비스

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도움 문의

생물학적 소스

synthetic

Quality Level

200

분석

≥99.0% (sum of enantiomers, HPLC)

양식

powder or crystals

광학 활성

[α]/D +21.0±2.0°

불순물

≤0.1% sulfated ash

mp

185-204 °C

solubility

water: insoluble

저장 온도

−20°C

SMILES string

[H]O[H].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O
[H]O[H].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

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

유전자 정보

human ... DHFR(1719)

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일반 설명

Methotrexateis an analog of folate. It shows anti-inflammatory effects throughseveral cellular mechanisms. The inhibition of dihydrofolate reductase reducesthe de novo synthesis of pyrimidines and purines, transmetylation ofphospholipids and proteins, and formation of polyamines.

애플리케이션

Methotrexatehydrate has been used as a disease modifyinganti-rheumatic drug (DMARD) to study its effects on Ross River virus disease (RRVD) in mice models.

Potent inhibitor of dihydrofolate reductase and agent for antitumor studies. Use to inhibit dihydrofolate reductase in DHFR-based protein expression systems.

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.

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, e.g., rheumatoid arthritis.