4'-Methylene-5,8,10-trideazaaminopterin
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Identification
- Generic Name
- 4'-Methylene-5,8,10-trideazaaminopterin
- DrugBank Accession Number
- DB05616
- Background
CH-1504 is a an antirheumatic agent that has been shown in vitro to be a nonpolyglutamylatable and nonhydroxylatable antifolate that is more efficiently taken up into cells by the reduced folate carrier (RFC) system than is Methotrexate. It has been investigated for the treatment of Rheumatoid Arthritis (phase II).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 449.467
Monoisotopic: 449.169918861 - Chemical Formula
- C23H23N5O5
- Synonyms
- Not Available
- External IDs
- CH 1504
- CH-1504
Pharmacology
- Indication
Investigated for use/treatment in inflammatory disorders (unspecified), psoriasis and psoriatic disorders, and rheumatoid arthritis.
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- International/Other Brands
- M-Trex / MobileTrex
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8Y3RH62XPB
- CAS number
- 238074-89-0
- InChI Key
- NAWXUBYGYWOOIX-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)
- IUPAC Name
- 2-({4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]phenyl}formamido)-4-methylidenepentanedioic acid
- SMILES
- NC1=NC2=CC=C(CCC3=CC=C(C=C3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)C=C2C(N)=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8022251
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0234 mg/mL ALOGPS logP 1.24 ALOGPS logP 0.41 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 3.34 Chemaxon pKa (Strongest Basic) 7.43 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 181.52 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 122.52 m3·mol-1 Chemaxon Polarizability 46.73 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0090200000-40c5114482b5de3eb097 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0ik9-1008900000-0600548c1ded09df892f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-78615ed04f148398a7cd Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-5908200000-a7282fbe28475d2eb5a2 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0229-1961000000-87b2eab74619fa9c5aae Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000w-9427200000-4b04cf18bcfafe77e311 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 18, 2007 18:26 / Updated at June 12, 2020 16:52