1H-Pyrrole-2-carboxamide,N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-

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Names

[ CAS No. ]:
636-47-5

[ Name ]:
1H-Pyrrole-2-carboxamide,N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-

[Synonym ]:
stallimycin
Distamycin-3
Distamycin

Chemical & Physical Properties

[ Density]:
1.45g/cm3

[ Molecular Formula ]:
C₂₂H₂₇N₉O₄

[ Molecular Weight ]:
481.50800

[ Exact Mass ]:
481.21900

[ PSA ]:
181.06000

[ LogP ]:
2.87670

[ Index of Refraction ]:
1.69

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WZ7108000

CAS REGISTRY NUMBER :: 636-47-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C22-H27-N9-O4

MOLECULAR WEIGHT :: 481.58

WISWESSER LINE NOTATION :: T5NJ A1 BVM2YZUM DMV- BT5NJ A1 DMV- BT5NJ A1 DMVH

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 :: 500 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 :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 75 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 :: Oral

SPECIES OBSERVED :: Bird - wild bird species

DOSE/DURATION :: 72 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: DNA damage

TEST SYSTEM :: Mammal - species unspecified Lymphocyte

DOSE/DURATION :: 500 umol/L

REFERENCE :: MLBRBU Molecular Biology Reports. (Dr. W. Junk Pub., POB 163, 3300 AD Dordrect, Netherlands) V.1- 1973- Volume(issue)/page/year: 2,135,1975

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-tert-butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid
Methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate
3-[1-methyl-4-[1-methyl-4-(1-methyl-4-aminopyrrole-2-carboxamido)pyrrole-2-carboxamido]pyrrole-2-carboxamido]propionitrile
methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate
methyl 4-[[[4-[[[4-[[(tert-butyloxy)carbonyl]amino]-1-methyl-pyrrol-2-yl]carbonyl]amino]-1-methyl-pyrrol-2-yl]carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid
1H-Imidazole-1-carbaldehyde

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)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
tert-butyl N-(2-cyanoethyl)-N-(4-ethoxyphenyl)carbamate
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