L-Glutamic acid,N-[4-[[1-(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-

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Names

[ CAS No. ]:
2179-16-0

[ Name ]:
L-Glutamic acid,N-[4-[[1-(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-

[Synonym ]:
Bremfol
ninopterin
9-Methyl-PGA
Folic acid,9-methyl
9-Methyl pteroylglutamic acid
9-Me-pga

Chemical & Physical Properties

[ Density]:
1.64g/cm3

[ Molecular Formula ]:
C20H21N7O6

[ Molecular Weight ]:
455.42400

[ Exact Mass ]:
455.15500

[ PSA ]:
213.54000

[ LogP ]:
1.97360

[ Index of Refraction ]:
1.746

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MA0602000
CHEMICAL NAME :
Glutamic acid, N-(p-((1-(2-amino-4-hydroxy-6-pteridinyl)ethyl)amino) benzoyl)- L-
CAS REGISTRY NUMBER :
2179-16-0
BEILSTEIN REFERENCE NO. :
0069787
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C20-H21-N7-O6
MOLECULAR WEIGHT :
455.48
WISWESSER LINE NOTATION :
T6MTJ BZ DQ F2MR DVMYVQ2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
20 mg/kg
SEX/DURATION :
female 10-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 1,375,1968
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
405 mg/kg
SEX/DURATION :
female 11-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
BNEOBV Biology of the Neonate. (S. Karger Pub., Inc., 79 Fifth Ave., New York, NY 10003) V.15- 1970- Volume(issue)/page/year: 41,52,1982
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
400 mg/kg
SEX/DURATION :
female 11-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
JEEMAF Journal of Embryology and Experimental Morphology. (Essex, UK) V.1-98, 1953-86. For Publisher information, see DEVPED Volume(issue)/page/year: 41,289,1977

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 6-Hydroxy-2,4,5-triaminopyrimidine
  • N-(4-aminobenzoyl)-L-glutamic acid

DownStream

Related Compounds

  • (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(bis(benzyloxy)phosphoryl)-1H-1,2,3-triazol-1-yl)propanoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide