Cyclopent[i]azacyclononadecine-7,17(8H,19H)-dione,9,10,13,14,15,16,20,20a-octahydro-15,18-dihydroxy-19-methoxy-2-methyl-9-phenyl-,(1Z,3E,5E,9S,11E,15S,19S,20aR)-

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Names

[ CAS No. ]:
77642-19-4

[ Name ]:
Cyclopent[i]azacyclononadecine-7,17(8H,19H)-dione,9,10,13,14,15,16,20,20a-octahydro-15,18-dihydroxy-19-methoxy-2-methyl-9-phenyl-,(1Z,3E,5E,9S,11E,15S,19S,20aR)-

[Synonym ]:
Antibiotic KG-2245
KG-2245
KM-4927
Antibiotic KM-4927
stubomycin

Chemical & Physical Properties

[ Molecular Formula ]:
C29H35NO5

[ Molecular Weight ]:
477.59200

[ Exact Mass ]:
477.25200

[ PSA ]:
95.86000

[ LogP ]:
5.13860

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GY5946700
CHEMICAL NAME :
Cyclopent(i)azacyclononadecine-7,17(8H,19H)-dione, 9,10,13,14,15,16,20,20a-octahydro- 15,18-dihydroxy-19-methoxy-2-methyl-9-phenyl-
CAS REGISTRY NUMBER :
77642-19-4
LAST UPDATED :
199206
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C29-H35-N-O5
MOLECULAR WEIGHT :
477.65

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 :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Human HeLa cell
DOSE/DURATION :
2500 ug/L
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: 34,259,1981

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (1Z,3E,5E,9S,11E,15S,19S,20aR)-15,18-dihydroxy-19-methoxy-8-(4-methoxybenzyl)-2-methyl-9-phenyl-9,10,13,14,15,16,20,20a-octahydrocyclopenta[i][1]azacyclononadecine-7,17(8H,19H)-dione
  • (3S,9S,E)-1-((3S,5R)-5-((Z)-3-hydroxy-2-methylprop-1-en-1-yl)-2,3-dimethoxycyclopent-1-en-1-yl)-9-((4-methoxybenzyl)amino)-3-((4-methoxybenzyl)oxy)-9-phenylnon-6-en-1-one
  • diethyl ((E)-4-(((1S,7S,E)-9-((3S,5R)-2,3-dimethoxy-5-((Z)-2-methyl-3-oxoprop-1-en-1-yl)cyclopent-1-en-1-yl)-7-((4-methoxybenzyl)oxy)-9-oxo-1-phenylnon-3-en-1-yl)(4-methoxybenzyl)amino)-4-oxobut-2-en-1-yl)phosphonate
  • (5R)-5-(Hydroxymethyl)dihydro-2(3H)-furanone

DownStream

Related Compounds

  • 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)-
  • 1-[5-[2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-2-methyl-propan-2-ol
  • (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