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34378-65-9,MFCD09840873
Catalog No.:AA00C9LA

34378-65-9 | METHOTREXATE DIMETHYL ESTER

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
97%
2 weeks  
$2,164.00   $1,515.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C9LA
Chemical Name:
METHOTREXATE DIMETHYL ESTER
CAS Number:
34378-65-9
Molecular Formula:
C22H26N8O5
Molecular Weight:
482.4924
MDL Number:
MFCD09840873
SMILES:
COC(=O)C(NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C)CCC(=O)OC
Properties
Properties
 
Form:
Solid  
MP:
134-140˚C  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
735  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.2  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1989,vol.32,p.2426-2431

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.5332-5338

[1]PeiróCadahía,Jorge;Bondebjerg,Jon;Hansen,ChristianA.;Previtali,Viola;Hansen,AndersE.;Andresen,ThomasL.;Clausen,MadsH.[JournalofMedicinalChemistry,2018,vol.61,#8,p.3503-3515]

[2]CurrentPatentAssignee:TECHNICALUNIVERSITYOFDENMARK-WO2018/37120,2018,A1Locationinpatent:Page/Pagecolumn28;29;32

34378-65-9    68162-47-0   
(S)-(4-(((2-amino-6-(((4-((1,5-dimethoxy-1,5-dioxopentan-2-yl)carbamoyl)phenyl)(methyl)amino)methyl)pteridin-4-yl)amino)methyl)phenyl)boronicacid 

[1]Patent:WO2018/37120,2018,A1.Locationinpatent:Page/Pagecolumn57;59

34378-65-9    68162-47-0   
(S)-(4-(((4-amino-6-(((4-((1,5-dimethoxy-1,5-dioxopentan-2-yl)carbamoyl)phenyl)(methyl)amino)methyl)pteridin-2-yl)amino)methyl)phenyl)boronicacid 

[1]Patent:WO2018/37120,2018,A1.Locationinpatent:Page/Pagecolumn58;59

Literature
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SDS
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