ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate

Modify Date: 2025-09-09 21:31:40

ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate Structure
ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate structure
Common Name ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate
CAS Number 86669-33-2 Molecular Weight 566.65200
Density 1.271g/cm3 Boiling Point N/A
Molecular Formula C28H38N8O5 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.271g/cm3
Molecular Formula C28H38N8O5
Molecular Weight 566.65200
Exact Mass 566.29700
PSA 188.54000
LogP 4.33590
Index of Refraction 1.619
InChIKey PPVHSXJZSPOWMU-UHFFFAOYSA-N
SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

 Bioassay

View more

Name: In vivo antitumor activity against L1210 leukemia in 5 mice measured as median surviv...
Source: ChEMBL
Target: L1210
External Id: CHEMBL700168
Name: Average weight of the mouse after treating with 400 mg/kg dose for 7 day.
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL730782
Name: In vivo antitumor activity against L1210 leukemia in 15 mice measured as T/C values; ...
Source: ChEMBL
Target: L1210
External Id: CHEMBL703112
Name: Average weight of the mouse after treating with 400 mg/kg dose for 1 day.
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL715629
Name: In vivo antitumor activity against L1210 leukemia in 5 mice measured as Increased lif...
Source: ChEMBL
Target: L1210
External Id: CHEMBL703706
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 Synonyms

methotrexate di-t-butyl ester
Methotrexate dibutyl esters
DITERT-BUTYL 2-[[4-[(2,4-DIAMINOPTERIDIN-6-YL)METHYL-METHYL-AMINO]BENZOYL]AMINO]PENTANEDIOATE
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