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1-Deoxypyrromycin
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Name

1-Deoxypyrromycin

 EINECS N/A
CAS No. 60504-57-6 Density 1.2894 (rough estimate)
PSA 163.06000 LogP 2.15830
Solubility N/A Melting Point N/A
Formula C30H35 N O10 Boiling Point 734.5°C at 760 mmHg
Molecular Weight 569.609 Flash Point 398°C
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 60504-57-6 (methyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-dimethylamino-5-hydroxy-6-methyl- oxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetra cene-1-carboxylate) Hazard Symbols N/A
Synonyms

1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl ester, [1R-(1a,2b,4b)]-; 1-Deoxypyrromycin; Aclacinomycin T; Aklavin; Aklavine;Antibiotic MA 144T1; MA 144T1

Article Data 5

1-Deoxypyrromycin Chemical Properties

Molecular Structure of 1-Deoxypyrromycin (CAS NO.60504-57-6):


IUPAC: Methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Molecular Formula:C30H35NO10
Molecular Weight:569.5996
Density:1.45 g/cm3
Flash Point:387.3oC
Boiling Point:716.7oC at 760 mmHg
SMILES:O=C2c1cc5c(c(O)c1C(=O)c3c2cccc3O)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H](N(C)C)C4)C)C[C@](O)(CC)[C@@H]5C(=O)OC 
InChI:InChI=1/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1 
InChIKey:LJZPVWKMAYDYAS-QKKPTTNWBI 
Index of Refraction:1.657 
Molar Volume:391.4 cm3
Surface Tension:75.6 dyne/cm
Molar Refractivity:144.11 cm3
Enthalpy of Vaporization:109.97 kJ/mol
Vapour Pressure:1.46E-21 mmHg at 25oC

1-Deoxypyrromycin Toxicity Data With Reference

1.    

dni-mus:leu 630 nmol/L

     JANTAJ    Journal of Antibiotics. 34 (1981),1596.
2.    

oms-mus:leu 280 nmol/L

     JANTAJ    Journal of Antibiotics. 34 (1981),1596.
3.    

ipr-mus LD50:16,500 µg/kg

     JANTAJ    Journal of Antibiotics. 32 (1979),79-39.
4.    

ivn-mus LD50:18,100 µg/kg

     JANTAJ    Journal of Antibiotics. 32 (1979),79-39.

1-Deoxypyrromycin Consensus Reports

EPA Genetic Toxicology Program.

1-Deoxypyrromycin Safety Profile

Poison by intraperitoneal and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

1-Deoxypyrromycin Specification

 1-Deoxypyrromycin with cas registry number of 60504-57-6 is also known as Methyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-dimethylamino-5-hydroxy-6-methyl- oxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetra cene-1-carboxylate ; (1R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2α,5,7-trihydroxy-4α-[[3-(dimethylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-6,11-dioxonaphthacene-1β-carboxylic acid methyl ester ; (1R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2α,5,7-trihydroxy-6,11-dioxo-4α-[[2,3,6-trideoxy-3-dimethylamino-α-L-lyxo-hexopyranosyl]oxy]naphthacene-1β-carboxylic acid methyl ester ; (1R)-2-Ethyl-2α,5,7-trihydroxy-4α-[[3-(dimethylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacene-1β-carboxylic acid methyl ester ; Aclacinomycin T ; Aklavin ; MA-144T1 . It is a drug mutagen natural product. 1-Deoxypyrromycin with cas registry number of 60504-57-6 is used as an intermediate in synthesis of many useful compounds.

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