(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-3-methylbutanoic acid

Names

[ Name ]:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-3-methylbutanoic acid

[Synonym ]:
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-valine
N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)valine
Valine,N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-,DL
DL-Valine,N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)

Chemical & Physical Properties

[ Molecular Formula ]:
C₂₀H₂₄N₈O₃

[ Molecular Weight ]:
424.45600

[ Exact Mass ]:
424.19700

[ PSA ]:
173.97000

[ LogP ]:
1.96180

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV9392200

CHEMICAL NAME :: Valine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)b enzoyl)-, DL-

CAS REGISTRY NUMBER :: 68352-97-6

LAST UPDATED :: 199610

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H24-N8-O3

MOLECULAR WEIGHT :: 424.52

WISWESSER LINE NOTATION :: T66 BN DN GN JNJ CZ EZ H1N1&R D1MYVQY1&1 -DL

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 :: 200 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