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

Modify Date: 2024-01-29 19:14:39

4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoic acid structure	Common Name	4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoic acid
	CAS Number	68352-96-5	Molecular Weight	410.43000
	Density	1.444g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₉H₂₂N₈O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

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

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

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

4-[(Trimethylsilyl)amino]butyric acid trimethylsilyl ester structure

4-[(Trimethylsi...

CAS#:39538-11-9

4-Amino-4-deoxy-10-methylpteroic acid structure

4-Amino-4-deoxy...

CAS#:19741-14-1

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

4-[[4-[(2,4-dia...

CAS#:68352-96-5

Literature: Moran; Colman; Forsch; Rosowsky Journal of Medicinal Chemistry, 1984 , vol. 27, # 10 p. 1263 - 1267

Precursor 2
CAS#:39538-11-9 4-[(Trimethylsi... CAS#:19741-14-1 4-Amino-4-deoxy...
DownStream 0