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My Cart> Small Molecule Compounds > Inhibitors & Antagonists & Agonists > Cell Cycle > PemetrexedCAS：137281-23-3
Molecular Formula：C20H21N5O6
Molecular Weight：427.41
Storage：Powder:2-8℃，2 years;Insolvent(Mother Liquid):-20℃，6 months;-80℃，1 year
Purity：HPLC≥98%
Appearance：White to off-white Solid
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| CAS | 137281-23-3 |
| Name | Pemetrexed |
| Molecular Formula | C20H21N5O6 |
| Molecular Weight | 427.41 |
| Solubility | Soluble in DMSO |
| Purity | HPLC≥98% |
| Appearance | White to off-white Solid |
| Storage | Powder:2-8℃，2 years;Insolvent(Mother Liquid):-20℃，6 months;-80℃，1 year |
| EC | EINECS 680-625-9 |
| MDL | MFCD19105065 |
| SMILES | O=C1NC(N)=NC2=C1C(CCC3=CC=C(C(N[C@H](C(O)=O)CCC(O)=O)=O)C=C3)=CN2 |
| InChIKey | WBXPDJSOTKVWSJ-ZDUSSCGKSA-N |
| InChI | InChI=1S/C20H21N5O6/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)/t13-/m0/s1 |
| PubChem CID | 135410875 |
| Target Point | Antifolate |
| Passage | Cell Cycle;DNA Damage/DNA Repair;Metabolic Enzyme&Protease |
| Background | Pemetrexed is a folic acid antagonist. Inhibits thymidylate synthase (TS), dihydrofolate reductase (DHFR) and glycinamide nucleotide formyltransferase (GARFT). |
| Biological Activity | Pemetrexed (LY231514) is an antifolate， the Ki values of the pentaglutamate of Pemetrexed (LY231514) are 1.3， 7.2， and 65 nM for inhibits thymidylate synthase (TS)， dihydrofolate reductase (DHFR)， and glycinamide ribonucleotide formyltransferase (GARFT)， respectively.[1-2] |
| IC50 | Ki: 1.3 nM (TS)， 7.2 nM (DHFR)， 65 nM (GARFT)[1] |
| Data Literature Source | [1]. Shih C， et al. LY231514， a pyrrolo[2，3-d]pyrimidine-based antifolate that inhibits multiple folate-requiring enzymes. Cancer Res. 1997 Mar 15;57(6):1116-23. [2]. Anraku M， et al. Synergistic antitumor effects of regulatory T cell blockade combined with pemetrexed in murine malignantmesothelioma. J Immunol. 2010 Jul 15;185(2):956-66. |
| Unit | Bottle |
| Specification | 50mg 10mM*1mL in DMSO 100mg |
Remark：These protocols are for reference only. Solarbio does not independently validate these methods.
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Pan Y, et al. Microsyst Nanoeng. 2020 Mar 9;6:23.
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3D microgroove electrical impedance sensing to examine 3D cell cultures for antineoplastic drug assessment
Click to check >>Author：Pan Y;Jiang D;Gu C;Qiu Y;Wan H;Wang P.
IF：5.6160
Publish_to：Microsyst Nanoeng
PMID：34567638
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