N-(5-Aminopentyl) Methotrexate Amide

Base Information

• Chemical Name: N-(5-Aminopentyl) Methotrexate Amide
• CAS No.: 136672-64-5
• Molecular Formula: C25H34N10O4
• Molecular Weight: 538.60206
• DSSTox Substance ID: DTXSID30436353
• Mol file: 136672-64-5.mol

Synonyms:N-(5-Aminopentyl) Methotrexate Amide;136672-64-5;MTX-DAP;(2S)-5-(5-aminopentylamino)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid;DTXSID30436353

Chemical Property of N-(5-Aminopentyl) Methotrexate Amide

Chemical Property:

• PSA: 232.58000
• LogP: 2.87180
• Storage Temp.: Refrigerator
• Solubility.: Aqueous Base (Slightly), DMSO (Slightly), Water (Slightly)
• XLogP3: -4.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 538.27644960
• Heavy Atom Count: 39
• Complexity: 797

Purity/Quality:

98% ^*data from raw suppliers

N-(5-Aminopentyl)MethotrexateAmide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCCCCCN)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)NCCCCCN)C(=O)O
• Uses: Like the 5-aminopentyl amide derivative of the folic acid antagonist Methotrexate (M260675), N-(5-AMinopentyl) Methotrexate AMide can be used in the study of membrane-associated folate transporters from L1210 cells.