(S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

CAS 606-14-4 MFCD00210302

化学结构图

606-14-4
SMILES: Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O

化学属性

Mol. FormulaC10H12N2O4
Mol. Weight224.24

别名和识别编码

Chemical Name(S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
InChIKeyVCKPUUFAIGNJHC-LURJTMIESA-N
Wiswesser Line NotationZR BQ FV1YZVQ -L
Synonym 3-(3-Hydroxyanthraniloyl)-L-alanine Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-, (S)- L-3-Hydroxykynurenine 3-Hydroxy-L-kynurenine
CAS Number606-14-4
PubChem Substance ID11811
InChIInChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1
LabNetwork Molecule IDLN01867349
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安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4408 mg/kg/21D-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - bronchiogenic carcinoma
REFERENCE :
   JCROD7 Journal of Cancer Research and Clinical Oncology.  (Springer-Verlag
   New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094)  V.93-
   1979-  Volume(issue)/page/year: 96,163,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 160 mg/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Tumorigenic - facilitates action of known carcinogen
REFERENCE :
   ANYAA9 Annals of the New York Academy of Sciences.  (New York Academy of
   Sciences, 2 E. 63rd St., New York, NY 10021)  V.1-    1877-
   Volume(issue)/page/year: 108,924,1963

RTECSAY6650000

系列性分类

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