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

  • 2-[3-(1-Azetidinyl)propoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • N-[1-(butan-2-yl)-5-methyl-1H-pyrazol-4-yl]-6-chloro-2-fluoropyridine-3-sulfonamide
  • N-(5-hydroxy-3-(thiophen-2-yl)pentyl)benzo[d]thiazole-2-carboxamide
  • 2-(1,2,3,4-Tetrahydroisoquinolin-5-yl)acetonitrile hydrochloride
  • 5-[1-(Prop-2-enoyl)piperidin-3-yl]-2,3-dihydro-1,3,4-oxadiazol-2-one
  • N-(5-hydroxy-3-(thiophen-2-yl)pentyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
  • (E)-N-[(2R,3S)-2-(1-Methylpyrazol-4-yl)oxolan-3-yl]-2-phenylethenesulfonamide
  • 2-[4-Amino-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol
  • 5-Amino-1-(2-bromo-4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
  • 5-Amino-1-(2-chloro-5-methoxyphenyl)-3-methyl-1H-pyrazole-4-carbonitrile
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