Bleomycin hydrochloride

CAT: 0013-GTR19187392-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19187392-02Size:5 mg

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Description

Bleomycin sulfate is a glycopeptide antibiotic that inhibits DNA synthesis and induces DNA strand scission, exhibiting antitumor properties. It is widely used in cancer research for studying DNA damage mechanisms and chemotherapeutic effects in both cellular and animal models.

CAS Number

67763-87-5

Product Name Alternative

DNA synthesis, DNA Synthesis, DNASynthesis, Bleomycin Hydrochloride, Bleomycinhydrochloride, RNASynthesis, RNA Synthesis

Field of Research

Cell Biology, Molecular Biology

Purity

98.00% (May vary between batches)

Solubility

H2O:80 mg/mL;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL; DMSO:255 mg/mL

Smiles

[Cl-].C[C@@H] (O) [C@H] (NC (=O) [C@@H] (C) [C@H] (O) [C@@H] (C) NC (=O) [C@@H] (NC (=O) c1nc (nc (N) c1C) [C@H] (CC (N) =O) NC[C@H] (N) C (N) =O) [C@@H] (O[C@@H]1O[C@@H] (CO) [C@@H] (O) [C@H] (O) [C@@H]1O[C@H]1O[C@H] (CO) [C@@H] (O) [C@H] (OC (N) =O) [C@@H]1O) c1cnc[nH]1) C (=O) NCCc1nc (cs1) -c1nc (cs1) C (=O) NCCC[S+] (C) C

Molecular Formula

C55H84ClN17O21S3

Molecular Weight

1451.01 (Average)

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Bleomycin, hydrochloride

CAS Number	67763-87-5
PubChem CID	20832750
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-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-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;hydrochloride
Molecular Formula	C55H85ClN17O21S3+
Molecular Weight	1452.0
Topological Polar Surface Area	685
Hydrogen Bond Donor Count	21
Hydrogen Bond Acceptor Count	31
Rotatable Bond Count	36
Heavy Atom Count	97
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)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](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.Cl

InChI

InChI=1S/C55H83N17O21S3.ClH/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);1H/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1

InChIKey

BODDZCXQPQPRES-OYALTWQYSA-O

Chemical Structure

2D Structure

CAS: 67763-87-5

CID: 20832750

Formula: C55H85ClN17O21S3+

MW: 1452.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1452.0
Hydrogen Bond Donor Count	21
Hydrogen Bond Acceptor Count	31
Rotatable Bond Count	36
Exact Mass	1450.4956590
Monoisotopic Mass	1450.4956590
Topological Polar Surface Area	685 Å²
Heavy Atom Count	97
Formal Charge	1
Complexity	2580
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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