Bleomycin Free Base

CAT: 0931-T71445-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T71445-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

11056-06-7

Target

Antibiotic, Others

Related Pathways

Others, Microbiology/Virology

Bioactivity

Bleomycin Free Base is a complex of related glycopeptide antibiotics from Streptomyces verticillus consisting of bleomycin A2 and B2. It inhibits DNA metabolism and is used as an antineoplastic, especially for solid tumors.

Molecular Formula

C55H84N17O21S3+

Molecular Weight

1415.55

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Bleomycin

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

CAS Number	11056-06-7
PubChem CID	5360373
IUPAC Name	3-[[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 Formula	C55H84N17O21S3+
Molecular Weight	1415.6
XLogP	-7.5
Topological Polar Surface Area	685
Hydrogen Bond Donor Count	20
Hydrogen Bond Acceptor Count	31
Rotatable Bond Count	36
Heavy Atom Count	96
Formal Charge	1
Complexity	2580

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

CAS: 11056-06-7

CID: 5360373

Formula: C55H84N17O21S3+

MW: 1415.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1415.6
XLogP3	-7.5
Hydrogen Bond Donor Count	20
Hydrogen Bond Acceptor Count	31
Rotatable Bond Count	36
Exact Mass	1414.51898128
Monoisotopic Mass	1414.51898128
Topological Polar Surface Area	685 Å²
Heavy Atom Count	96
Formal Charge	1
Complexity	2580
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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