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

  • N-(2-(furan-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(2-methoxyphenoxy)acetamide
  • 2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-[(1-methylethyl)sulfonyl]acetamide
  • 4-chloro-N-(2-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
  • 2-(4-chlorophenoxy)-N-(2-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
  • 2-(benzo[d][1,3]dioxole-5-carboxamido)-N-(2-methoxybenzyl)-5,6-dihydro-4H-cyclopenta[d]thiazole-4-carboxamide
  • (S)-1-Phenyl-4-undecyne-3-ol
  • 2-(benzo[d][1,3]dioxole-5-carboxamido)-N-(4-methoxyphenethyl)-5,6-dihydro-4H-cyclopenta[d]thiazole-4-carboxamide
  • 3,3a-Dihydro-1H-thiazolo[3,4-a]quinoxalin-4(5H)-one
  • N-(4-(4-acetylpiperazine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzo[d][1,3]dioxole-5-carboxamide
  • Triphenylaniline
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