Rachelmycin

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Names

[ CAS No. ]:
69866-21-3

[ Name ]:
Rachelmycin

[Synonym ]:
(+)-(3bR,4aS)-CC-1065
(+)-CC-1065
Rachelmycin

Chemical & Physical Properties

[ Density]:
1.75g/cm3

[ Molecular Formula ]:
C37H33N7O8

[ Molecular Weight ]:
703.70000

[ Exact Mass ]:
703.23900

[ PSA ]:
210.31000

[ LogP ]:
4.62030

[ Index of Refraction ]:
1.878

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF4936700
CAS REGISTRY NUMBER :
69866-21-3
LAST UPDATED :
199806
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C37-H33-N7-O8
MOLECULAR WEIGHT :
703.77

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 :
>8 mg/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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>8800 ug/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 :
6900 ng/kg
TOXIC EFFECTS :
Gastrointestinal - other changes Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9 ug/kg
TOXIC EFFECTS :
Gastrointestinal - other changes Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 ug/kg
TOXIC EFFECTS :
Liver - fatty liver degeneration
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Mammal - species unspecified Lymphocyte
DOSE/DURATION :
7400 nmol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 42,999,1982 *** REVIEWS *** TOXICOLOGY REVIEW 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: 39,319,1986

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (S)-7-(7-(1-(chloromethyl)-5-hydroxy-8-methyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-3-carbonyl)-4-hydroxy-5-methoxy-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-3-carbonyl)-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide
  • (S)-1,6-dihydro-1-(hydroxymethyl)-8-methyl-5-(phenylmethoxy)-benzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxylic acid 1,1-dimethylethyl ester
  • (S)-1-(chloromethyl)-1,6-dihydro-8-methyl-5-(phenylmethoxy)-benzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxylic acid 1,1-dimethylethyl ester
  • 5-amino-1-benzoyl-7-(benzyloxy)-3-methyl-N5-(phenylsulfonyl)indole
  • 5-(benzyloxy)-1,2,3,6-tetrahydro-8-methylbenzo[1,2-b:4,3-b']dipyrrole-1-methanol
  • (1RS)-3-(Benzenesulfonyl)-5-(benzyloxy)-1-(hydroxymethyl)-8-methyl-1,2-dihydro-3H-pyrrolo[3,2-e]indole
  • 5-amino-1-benzoyl-7-(benzyloxy)-4-bromo-3-methyl-N5-(phenylsulfonyl)indole
  • 6-benzoyl-5-(benzyloxy)-1,2-dihydro-8-methyl-1-methylidene-3-(phenylsulfonyl)-3H-pyrrolo[3,2-e]indole
  • 6-benzoyl-5-(benzyloxy)-1,2-dihydro-1-(hydroxymethyl)-8-methyl-3-(phenylsulfonyl)-3H-pyrrolo[3,2-e]indole
  • 1-benzoyl-7-(benzyloxy)-4-bromo-3-methyl-N5-(phenylsulfonyl)-5-(2-propyn-1-ylamino)indole

DownStream

Related Compounds

  • 1-(3-(3-(Benzyloxy)propoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)-4-methylpiperazine
  • (5S,5'S)-4,4,4',4',5,5'-Hexaphenyl-2,2'-bi(1,3,2-dioxaborolane)
  • tert-Butyl 3-((4-bromo-2,6-dimethylphenyl)carbamoyl)piperidine-1-carboxylate
  • 2-(4-(Benzyloxy)phenyl)-N-(4-bromo-2,6-dimethylphenyl)acetamide
  • Methyl 3-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate
  • N'-hydroxy-1-methyl-5-pyrrol-1-ylpyrazole-4-carboximidamide
  • 4-[(Diethylamino)methyl]oxolan-3-one
  • (1S,2R,4S,5R)-2-((S)-(Allyloxy)(quinolin-4-yl)methyl)-1-(anthracen-9-ylmethyl)-5-vinylquinuclidin-1-ium bromide
  • 5-Fluoroisoquinoline-4-carboxylic acid
  • (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetraethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
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