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Substance Name: Methasquin
RN: 18921-70-5
InChIKey: NTKNUVXCGJPJQP-UHFFFAOYSA-N

Note

  • Folic acid antagonist that has been used in the treatment of experimental leukemia; acts by inhibiting the dihydrofolate reductase in the cell.

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H22-N6-O5

Molecular Weight

  • 438.442
 
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Names and Synonyms

Name of Substance

  • Methasquin

Synonyms

  • BRN 0905365
  • Methasquin
  • N-(p-(((2,4-Diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid
  • NSC 122870
  • SK 29836

Systematic Names

  • Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino) benzoyl)-, L- (8CI)
  • Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-, L-
  • L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino) benzoyl)-, (9CI)
  • L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 18921-70-5

Related Registry Number

  • 18921-69-2 (di-hydrochloride salt)

System Generated Number

  • 0018921705

Structure Descriptors

InChI

1S/C21H22N6O5/c1-10-12(4-7-14-17(10)18(22)27-21(23)26-14)9-24-13-5-2-11(3-6-13)19(30)25-15(20(31)32)8-16(28)29/h2-7,15,24H,8-9H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)

InChIKey

NTKNUVXCGJPJQP-UHFFFAOYSA-N

Smiles

c12c(ccc(c1C)CNc1ccc(C(N[C@@H](CC(O)=O)C(O)=O)=O)cc1)nc(N)nc2N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50110ug/kg (50.11mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 158mg/kg (158mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,