88887-42-7

Basic information

• Product Name: 5-hexadecyl methotrexate
• Synonyms: 5-hexadecyl methotrexate
• CAS NO: 88887-42-7
• Molecular Formula: C₃₆H₅₄N₈O₅
• Molecular Weight: 678.86456
• Mol File: 88887-42-7.mol

Chemical Properties

• Appearance: /
• Density: 1.192g/cm³
• Refractive Index: 1.594
• CAS DataBase Reference: 5-hexadecyl methotrexate(CAS DataBase Reference)
• NIST Chemistry Reference: 5-hexadecyl methotrexate(88887-42-7)
• EPA Substance Registry System: 5-hexadecyl methotrexate(88887-42-7)

Safety Data

• Hazardous Substances Data: 88887-42-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C36H54N8O5/c1-4-6-8-9-10-11-12-13-14-16-28(15-7-5-2)49-30(45)22-21-29(35(47)48)41-34(46)25-17-19-27(20-18-25)44(3)24-26-23-39-33-31(40-26)32(37)42-36(38)43-33/h17-20,23,28-29H,4-16,21-22,24H2,1-3H3,(H,41,46)(H,47,48)(H4,37,38,39,42,43)/t28?,29-/m0/s1

Upstream product

• 88904-40-9 (S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 5-hexadecyl ester 1-(2-trimethylsilanyl-ethyl) ester 
• 88887-51-8 (S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 1-tert-butyl ester 5-hexadecyl ester 
• 59-05-2 N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid 
• 112-82-3 hexadecanyl bromide 
• 30924-93-7 Boc-Glu-OBn 
• 79640-70-3 (S)-5-(tert-butoxy)-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-oxopentanoic acid 
• 88887-50-7 γ-n-hexadecyl N-(tert-butyloxycarbonyl)-L-glutamate 
• 88887-52-9 α-<2-(trimethylsilyl)ethyl> γ-n-hexadecyl N-(tert-butyloxycarbonyl)-L-glutamate 
• 88887-54-1 α-<2-(trimethylsilyl)ethyl> γ-n-hexadecyl L-glutamate tosylate 
• 1174027-14-5 methotrexate α-benzyl-γ-hexadecyl ester 

Downstream Products

• 88887-48-3 (S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 1-(2,6-dichloro-benzyl) ester 5-hexadecyl ester 

Relevant articles and documents

Liposomes containing alkylated methotrexate analogues for phospholipase A2 mediated tumor targeted drug delivery

Two lipophilic methotrexate analogues have been synthesized and evaluated for cytotoxicity against KATO III and HT-29 human colon cancer cells. Both analogues contained a C16-alkyl chain attached to the γ-carboxylic acid and one of the analogue

Methotrexate Analogues. 21. Divergent Influence of Alkyl Chain Length on the Dihydrofolate Reductase Affinity and Cytotoxicity of Methotrexate Monoesters

n-Octyl, n-dodecyl, and n-hexadecyl α- and γ-esters of methotrexate (MTX) were compared with the previously described α- and γ-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in cultu