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Bleomycin Free Base

CAT: 0013-GTR19209232-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209232-03Size:100 mg
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Description
Bleomycin Free Base is a glycopeptide antibiotic complex primarily composed of bleomycin A2 and B2, derived from Streptomyces verticillus. It functions as a DNA synthesis inhibitor and is widely used in research as an antineoplastic agent for studying solid tumor models both in vitro and in vivo.
CAS Number
11056-06-7
Field of Research
Infectious Disease & Virology
Molecular Formula
C55H84N17O21S3+
Molecular Weight
1415.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bleomycin

Bleomycin appears as colorless or yellowish powder. Possible bluish color depending on copper content. (NTP, 1992)

CAS Number11056-06-7
PubChem CID5360373
IUPAC Name3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
Molecular FormulaC55H84N17O21S3+
Molecular Weight1415.6
XLogP-7.5
Topological Polar Surface Area685
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count31
Rotatable Bond Count36
Heavy Atom Count96
Formal Charge1
Complexity2580
SMILES
CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O
InChI
InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1
InChIKey
OYVAGSVQBOHSSS-WXFSZRTFSA-O
Chemical Structure
2D Structure
2D structure of Bleomycin
CAS: 11056-06-7
CID: 5360373
Formula: C55H84N17O21S3+
MW: 1415.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1415.6
XLogP3-7.5
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count31
Rotatable Bond Count36
Exact Mass1414.51898128
Monoisotopic Mass1414.51898128
Topological Polar Surface Area685 Ų
Heavy Atom Count96
Formal Charge1
Complexity2580
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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