Phleomycin
[CAS# 11006-33-0]

Identification

• Classification: API >> Synthetic anti-infective drugs >> Antifungal drugs
• Name: Phleomycin
• Synonyms: 6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxo-Propyl)Amino]-3-Oxo-Propyl]-N-[1-[[4-[[1-[2-[4-(4-Carbamoylthiazol-2-Yl)-4,5-Dihydrothiazol-2-Yl]Ethylcarbamoyl]-2-Oxo-Propyl]Amino]-2-Hydroxy-1,3-Dimethyl-4-Oxo-Butyl]Carbamoyl]-2-[(2R,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-4-Carbamoyl-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methyl-Tetrahydropyran-2-Yl]Oxy-2-(3H-Imidazol-4-Yl)Ethyl]-5-Methyl-Pyrimidine-4-Carboxamide; 6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxopropyl)Amino]-3-Oxopropyl]-N-[1-[[[4-[[1-[[2-[4-(4-Carbamoyl-2-Thiazolyl)-4,5-Dihydrothiazol-2-Yl]Ethylamino]-Oxomethyl]-2-Oxopropyl]Amino]-2-Hydroxy-1,3-Dimethyl-4-Oxobutyl]Amino]-Oxomethyl]-2-[[(2R,3S,4S,5S,6S)-3-[[(2S,3R,4R,5S)-4-Carbamoyl-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methyl-2-Tetrahydropyranyl]Oxy]-2-(3H-Imidazol-4-Yl)Ethyl]-5-Methyl-4-Pyrimidinecarboxamide; 6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Keto-Propyl)Amino]-3-Keto-Propyl]-N-[1-[[4-[[1-[2-[4-(4-Carbamoylthiazol-2-Yl)-4,5-Dihydrothiazol-2-Yl]Ethylcarbamoyl]-2-Keto-Propyl]Amino]-2-Hydroxy-4-Keto-1,3-Dimethyl-Butyl]Carbamoyl]-2-[(2R,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-4-Carbamoyl-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-3-Methyl-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2-(3H-Imidazol-4-Yl)Ethyl]-5-Methyl-Pyrimidine-4-Carboxamide
• Molecular Formula: C₅₁H₇₅N₁₇O₂₁S₂
• Molecular Weight: 1326.37
• CAS Registry Number: 11006-33-0
• SMILES: [C@@]2(O[C@@H]1OC([C@H](O)[C@@](O)([C@H]1O)C(=O)N)CO)([C@@H](O)[C@H](O)[C@@H](O[C@H]2OC(C(NC(=O)C3=C(C(=NC(=N3)C(NCC(N)C(=O)N)CC(=O)N)N)C)C(=O)NC(C(O)C(C)C(=O)NC(C(=O)NCCC4=NC(CS4)C5=NC(=CS5)C(=O)N)C(=O)C)C)C6=CN=C[NH]6)CO)C
• InChI: 1S/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
• InChIKey: QRBLKGHRWFGINE-UGWAGOLRSA-N

Properties

• Density: 1.831g/cm³ (Cal.)
• Boiling point: 1718.777°C at 760 mmHg (Cal.)
• Flash point: 993.281°C (Cal.)