Methotrexate 0.01μM R08 exp501
Mechanism of Action
Inhibits dihydrofolate reductase (DHFR)
- Class / Subclass 1: Metabolism / Antimetabolite
- Class / Subclass 2: DNA Damage, Repair and Replication / Replication Inhibitor
Technical Notes
Compound References
- PubChem Name: Methotrexate
- Synonyms: Amethopterin; CL14377; WR19039; Amethopterin;CL14377;WR19039
- CAS #: 59-05-2
- PubChem CID: 126941
- IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
- INCHI Name: 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
- Molecular Weight: 454.4
- Canonical SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
- Isomeric SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
- Molecular Formula: C20H22N8O5
Compound Supplier
- Supplier Name: Toronto Research Chemicals
- Catalog #: M260675
- Lot #: 2-ZPK-113-1
Compound Characterization
- HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C20H22N8O5 455.17859; found 455.17795
Dose Response Curve
- Platform ID: Methotrexate
- Min: -8.2495; Max: 94.1747
| IC | Concentration (µM) |
|---|---|
| IC10 | 0.0074 |
| IC20 | 0.0091 |
| IC30 | 0.0105 |
| IC40 | 0.0117 |
| IC50 | 0.0130 |
| IC60 | 0.0144 |
| IC70 | 0.0161 |
| IC80 | 0.0185 |
| IC90 | 0.0227 |
Screen Summary
- Round: 08
- Dose: 10nM
- Days of incubation: 8
- Doublings: 6.2
- Numbers of reads: 17006804
Screen Results
| Sensitive/Resistant hits (FDR<0.05) | CRANKS | Score Plot | Top 30 Genes | Screen Similarity | Top 30 Sensitive GO terms | Top 30 Resistant GO terms |
|---|---|---|---|---|---|---|
| 15/12 | Scores |
Methotrexate 0.01μM R08 exp501
Aminopterin 0.005μM R07 exp335 vs Methotrexate 0.01μM R08 exp501
