STREPTONIGRIN METHYL ESTER

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Names

[ CAS No. ]:
3398-48-9

[ Name ]:
STREPTONIGRIN METHYL ESTER

[Synonym ]:
STREPTONIGRIN METHYL ESTER
methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinate
Methyl ester streptonigrin
Methyl streptonigrin
MES (VAN)

Chemical & Physical Properties

[ Density]:
1.47g/cm3

[ Boiling Point ]:
760.9ºC at 760 mmHg

[ Molecular Formula ]:
C26H24N4O8

[ Molecular Weight ]:
520.49100

[ Flash Point ]:
413.9ºC

[ Exact Mass ]:
520.15900

[ PSA ]:
186.18000

[ LogP ]:
3.68780

[ Index of Refraction ]:
1.666

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TJ7400000
CHEMICAL NAME :
Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2- quinolyl)-4-(2-hydrox y- 3,4-dimethoxyphenyl)-3-methyl-, methyl ester
CAS REGISTRY NUMBER :
3398-48-9
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C26-H24-N4-O8
MOLECULAR WEIGHT :
520.54
WISWESSER LINE NOTATION :
T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
88960 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
5 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
CCROBU Cancer Chemotherapy Reports, Part 1. (Washington, DC) V.52(6)-59, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 53,23,1969
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
CCROBU Cancer Chemotherapy Reports, Part 1. (Washington, DC) V.52(6)-59, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 53,23,1969

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-(benzyloxy)-3,4-dimethoxyphenyl)-3-methylpicolinate
  • Methanol
  • diazomethane
  • 1-(1-ethyliddine-2-butenyl)-3,4-dimethoxy-2-(phenylmethoxy)benzene
  • β-ethenyl-3,4-dimethoxy-2-(phenylmethoxy)benzeneethanol

DownStream

Related Compounds

  • STREPTONIGRIN METHYL ESTER
  • glutamyl-methyl ester-2-litorin
  • Sarcosine methyl ester hydrochloride
  • Thyroxine Methyl Ester
  • acryloylproline methyl ester
  • Telmisartan methyl ester
  • 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
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine