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454126

Methotrexate

≥98% (HPLC), solid, thymidylate synthetase inhibitor, Calbiochem®

Synonym(s):

Methotrexate

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About This Item

Empirical Formula (Hill Notation):
C20H22N8O5 · 3H2O
CAS Number:
59-05-2
Molecular Weight:
508.49
MDL number:
MFCD00599529
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
solid
Storage condition:
OK to freeze, protect from light
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Product Name

Methotrexate,

description

Merck USA index - 14, 5985

Quality Segment

assay

≥98% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze, protect from light

color

yellow

solubility

DMSO: 100 mg/mL

shipped in

ambient

storage temp.

2-8°C

SMILES string

N([C@@H](CCC(=O)O)C(=O)O)C(=O)c1ccc(cc1)N(Cc2nc3c(nc(nc3N)N)nc2)C

InChI

1S/C20H22N8O5/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)/t13-/m0/s1

InChI key

FBOZXECLQNJBKD-ZDUSSCGKSA-N

General description

Inhibits thymidylate synthetase, is a nonselective de novo purine synthesis inhibitor and has a significant toxicity profile including hepatotoxicity, pneumonitis and bone marrow suppression. Potent folic acid antagonist. Induces apoptosis in HL-60 human leukemia cells. Also useful as an anti-tumor agent.

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.

Other Notes

Due to the nature of the Hazardous Materials in this shipment, additional shipping charges may be applied to your order. Certain sizes may be exempt from the additional hazardous materials shipping charges. Please contact your local sales office for more information regarding these charges.
Kaufman, S.H., et al. 1993. Cancer Res.53, 3976.
Takasuga, A., et al. 1992. J. Biochem.112, 652.
Hirata, S., et al. 1989. Arthritis Rheum. 32, 1065.
Jolivet, J., et al. 1983. New Engl. J. Med. 309, 1094.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Toxic (F)

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Oral - Muta. 2 - Repr. 1B - STOT RE 1

Target Organs

Liver,Bone marrow

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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