Zorubicin

CAT: 0931-T69130-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T69130-01Size:25 mg

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CAS Number

54083-22-6

Target

Others, DNA/RNA Synthesis, Topoisomerase

Related Pathways

Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint

Bioactivity

Zorubicin (Rubidazon), a Daunorubicin derivative, inhibits DNA polymerases and interacts with topoisomerase II. It is utilized in the research of acute leukemias and sarcomas [1] [2] [3] [4] [5].

Smiles

OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(=NNC(=O)C4=CC=CC=C4)C)(O)C2)C(O)=C5C1C(=O)C=6C(C5=O)=C(OC)C=CC6

Molecular Formula

C34H35N3O10

Molecular Weight

645.66

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Zorubicin

Zorubicin is a drug of the anthracycline class - a class of medications that have historically demonstrated effective chemotherapy for a variety of cancer types.

CAS Number	54083-22-6
PubChem CID	57164040
IUPAC Name	N-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide
Molecular Formula	C34H35N3O10
Molecular Weight	645.7
XLogP	3.8
Topological Polar Surface Area	210
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Heavy Atom Count	47
Formal Charge	0
Complexity	1230

SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC=CC=C6)C)O)N)O

InChI

InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/t15-,20-,22-,23-,28+,34-/m0/s1

InChIKey

FBTUMDXHSRTGRV-BJISBDEGSA-N

Chemical Structure

2D Structure

CAS: 54083-22-6

CID: 57164040

Formula: C34H35N3O10

MW: 645.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	645.7
XLogP3	3.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	645.23224432
Monoisotopic Mass	645.23224432
Topological Polar Surface Area	210 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1230
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19210795-01	Zorubicin
413482	Zorubicin HCl
FZ76682-01	Zorubicin hydrochloride

Zorubicin

Chemical Information

Alternative Products

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