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A6770

Methotrexate hydrate

Name: Methotrexate hydrate
Brand: SIGMA

powder, ≥98% (HPLC)

Synonym(s):

4-Amino-10-methylfolic acid hydrate, L-4-Amino-N¹⁰-methylpteroylglutamic acid hydrate, L-Amethopterin hydrate, Antifolan hydrate, MTX hydrate, Methylaminopterin hydrate

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About This Item

Empirical Formula (Hill Notation):

C₂₀H₂₂N₈O₅ · xH₂O

CAS Number:

133073-73-1

Molecular Weight:

454.44 (anhydrous basis)

UNSPSC Code:

12352202

PubChem Substance ID:

57653876

NACRES:

NA.77

MDL number:

MFCD00150847

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Properties

Product Name

Methotrexate hydrate, ≥98% (HPLC), powder

biological source

synthetic (organic)

Quality Level

200

assay

≥98% (HPLC)

form

powder

color

, yellow to very dark yellow to very dark orange

mp

185-204 °C

solubility

H₂O: insoluble

storage temp.

−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

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

Gene Information

human ... DHFR(1719)

Description

Application

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.