4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoic acid

Names

[ CAS No. ]:
68352-96-5

[ Name ]:
4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoic acid

Chemical & Physical Properties

[ Density]:
1.444g/cm3

[ Molecular Formula ]:
C19H22N8O3

[ Molecular Weight ]:
410.43000

[ Exact Mass ]:
410.18100

[ PSA ]:
173.97000

[ LogP ]:
1.71740

[ Index of Refraction ]:
1.724

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES8980100
CHEMICAL NAME :
Butyric acid, 4-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)b enzamido)-
CAS REGISTRY NUMBER :
68352-96-5
LAST UPDATED :
199610
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H22-N8-O3
MOLECULAR WEIGHT :
410.49
WISWESSER LINE NOTATION :
T66 BN DN GN JNJ CZ EZ H1N1&R DVM3VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
103 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NEOLA4 Neoplasma. (Karger-Libri, P.O. Box, CH-4009 Basel, Switzerland) V.4- 1957- Volume(issue)/page/year: 29,43,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-[(Trimethylsilyl)amino]butyric acid trimethylsilyl ester
  • 4-Amino-4-deoxy-10-methylpteroic acid

DownStream

Related Compounds

  • 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
  • 2,5-dibromo-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide