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About This Item

Empirical Formula (Hill Notation):
C20H19N5O6 · 2Na · 7H2O
CAS Number:
357166-29-1
Molecular Weight:
597.48
UNSPSC Code:
12352200
NACRES:
NA.77
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Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

H2O: 30 mg/mL, clear

storage temp.

2-8°C

SMILES string

[Na+].[Na+].[nH]1c2[nH]cc(c2[c](nc1N)=O)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O

InChI

1S/C20H21N5O6.2Na.7H2O/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1

InChI key

QJVSMHJWAOSBMD-MYXYZBIASA-L

Application

Pemetrexed disodium heptahydrate has been used as a folate antimetabolite to study its effects on ovarian clear cell carcinoma cells. It has also been used as an antifolate to determine its effects on neuroblastoma cell lines.

Biochem/physiol Actions

Pemetrexed exhibits its activity against several tumors such as colorectal, breast, gastric, pancreatic, and cervical cancer. It acts as a substrate for multidrug resistance protein transporters.
Pemetrexed is antifolate cancer drug approved for treatment of variety of cancer including pleural mesothelioma and non-small cell lung cancer.
Pemetrexed is antifolate cancer drug approved for treatment of variety of cancer including pleural mesothelioma and non-small cell lung cancer. Pemetrexed is a folate antimetabolite that inhibits thymidylate synthase, dihydrofolate reductase and glycinamide ribonucleotide formyltransferase, three enzymes used in purine and pyrimidine synthesis.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H315,H341,H360FD,H372

Hazard Classifications

Muta. 2 - Repr. 1A - Skin Irrit. 2 - STOT RE 1

Target Organs

Blood,Immune system,Testes

Storage Class Code

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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Certificates of Analysis (COA)

Lot/Batch Number
0000159305
0000207781
0000154822
0000207781

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