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Phleomycin

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Name

Phleomycin

EINECS 634-572-3
CAS No. 11006-33-0 Density 1.83 g/cm3
PSA 664.89000 LogP -2.68810
Solubility N/A Melting Point N/A
Formula C51H75N17O21S2 Boiling Point 1718.8 °C at 760 mmHg
Molecular Weight 1326.37 Flash Point 993.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 11006-33-0 (Phleomycin) Hazard Symbols HarmfulXn; IrritantXi
Synonyms

PHLEOMYCIN; PHLEOMYCIN (STREPTOMYCES VERTICILLUS); phleomycincomplex; ZEOCIN(TM); phleomycin from streptomyces*verticillus;

 

Phleomycin Consensus Reports

EPA Genetic Toxicology Program.

Phleomycin Specification

The CAS registry number of Phleomycin is 11006-33-0. The systematic name is 2'-{5-acetyl-15-(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)-13-[{[(2R,3S,4S,5S,6S)-3-{[(2S,3R,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-5-yl)methyl]-9-hydroxy-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-4',5 '-dihydro-2,4'-bi-1,3-thiazole-4-carboxamide. In addition, the molecular formula is C51H75N17O21S2 and the molecular weight is 1326.37. What's more, it belongs to the classes of Antibiotics; Antibiotics by Application; Antibiotics N-S Antibiotics; Chemical Structure Class; Genetic Marker Selection Antibiotics; Glycopeptides Antibiotics; Interferes with DNA SynthesisSpectrum of Activity; Mechanism of Action. And the storage temperature of this chemical is 2-8°C.

Physical properties about this chemical are: (1)ACD/LogP: -2.73; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.46; (4)ACD/LogD (pH 7.4): -2.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 38; (10)#H bond donors: 26; (11)#Freely Rotating Bonds: 40; (12)Polar Surface Area: 422.42 Å2; (13)Index of Refraction: 1.777; (14)Molar Refractivity: 303.19 cm3; (15)Molar Volume: 724.4 cm3; (16)Polarizability: 120.19 ×10-24cm3; (17)Surface Tension: 88 dyne/cm; (18)Density: 1.83 g/cm3; (19)Flash Point: 993.3 °C; (20)Enthalpy of Vaporization: 286.59 kJ/mol; (21)Boiling Point: 1718.8 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. Whenever you will contact it, please wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)C)C(=O)NCCC/3=N/C(c2scc(n2)C(=O)N)CS\3)C)C(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@@]5(O[C@@H]4OC(CO)[C@H](O)[C@](O)(C(=O)N)[C@H]4O)C)c6 cncn6)C)CC(=O)N
(2)InChI: InChI=1/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1
(3)InChIKey: QRBLKGHRWFGINE-UGWAGOLRBV

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 2500ug/kg (2.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.
guinea pig LDLo intravenous 13mg/kg (13mg/kg)   Journal of Antibiotics, Series A. Vol. 19, Pg. 260, 1966.
mouse LD50 intraperitoneal 13mg/kg (13mg/kg)   Journal of Antibiotics, Series A. Vol. 19, Pg. 260, 1966.
mouse LD50 intravenous 21mg/kg (21mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.
mouse LD50 oral 371mg/kg (371mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.
mouse LD50 subcutaneous 25mg/kg (25mg/kg)   Journal of Antibiotics, Series A. Vol. 19, Pg. 260, 1966.
rat LD50 intravenous 4mg/kg (4mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.
rat LD50 oral 649mg/kg (649mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.

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