Ikarugamycin

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Names

[ CAS No. ]:
36531-78-9

[ Name ]:
Ikarugamycin

[Synonym ]:
14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione, 3-ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-, (2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-
(3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-Ethyl-28-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0.0.0]octacosa-1(28),3,13,18-tetraene-2,20,27-trione
Ikarugamycin
tu-6239 c3

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
741.9±60.0 °C at 760 mmHg

[ Molecular Formula ]:
C29H38N2O4

[ Molecular Weight ]:
478.62

[ Flash Point ]:
402.5±32.9 °C

[ Exact Mass ]:
478.283173

[ PSA ]:
95.50000

[ LogP ]:
5.05

[ Vapour Pressure ]:
0.0±5.6 mmHg at 25°C

[ Index of Refraction ]:
1.604

[ Storage condition ]:
-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI0625500
CHEMICAL NAME :
Ikarugamycin
CAS REGISTRY NUMBER :
36531-78-9
LAST UPDATED :
199206
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C29-H38-N2-O4
MOLECULAR WEIGHT :
478.69
WISWESSER LINE NOTATION :
T I5 H6 F5-17-5 A CV UVM D&MV DU NU SU C&HTTTT&J AQ L2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 25,271,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 25,271,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 25,271,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 25,271,1972

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ Hazard Codes ]:
T

[ RIDADR ]:
UN 2811 6.1 / PGIII

Synthetic Route

Precursor & DownStream

Precursor

  • 2-((2R,3R,3aS,5R,5aS,6R,7R,8aR,8bS)-5-((tert-butyldimethylsilyl)oxy)-2-(dimethoxymethyl)-6-ethyl-7-methyldodecahydro-as-indacen-3-yl)acetaldehyde
  • tert-butyl(((2R,3R,3aS,4R,5aS,6R,7R,8aS,8bR)-6-(3,3-dibromoallyl)-7-(dimethoxymethyl)-3-ethyl-2-methyldodecahydro-as-indacen-4-yl)oxy)dimethylsilane

DownStream

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  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
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  • tert-Butyl-DL-alanine
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  • 2-Pyridinamine, 6-ethyl-5-(trifluoromethyl)-