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Pirarubicin HCl

CAT: 0013-GTR19208518-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208518-01Size:50 mg
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Description
Pirarubicin HCl is a doxorubicin analog and topoisomerase II inhibitor that intercalates DNA, blocking replication and transcription. It demonstrates reduced cardiotoxicity and activity against some doxorubicin-resistant lines in vitro, supporting research in oncology, chemotherapy resistance, and experimental cancer models.
CAS Number
95343-20-7
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology, Pharmacology & Drug Discovery
Smiles
Cl.[H][C@]1 (CCCCO1) O[C@H]1[C@@H] (N) C[C@] ([H]) (O[C@H]2C[C@@] (O) (Cc3c (O) c4C (=O) c5cccc (OC) c5C (=O) c4c (O) c23) C (=O) CO) O[C@H]1C
Molecular Formula
C32H38ClNO12
Molecular Weight
664.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Theprubicin

Pirarubicin Hydrochloride is the hydrochloride salt form of pirarubicin, an analogue of the anthracycline antineoplastic antibiotic doxorubicin with antineoplastic activity. Pirarubicin intercalates into DNA and interacts with topoisomerase II, thereby inhibiting DNA replication and repair as well as RNA and protein synthesis. This agent is less cardiotoxic than doxorubicin and exhibits activity against some doxorubicin-resistant cell lines.

CAS Number95343-20-7
PubChem CID20846247
IUPAC Name(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Molecular FormulaC32H38ClNO12
Molecular Weight664.1
Topological Polar Surface Area204
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count46
Formal Charge0
Complexity1120
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(=O)CO)O)N)O[C@@H]6CCCCO6.Cl
InChI
InChI=1S/C32H37NO12.ClH/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38;/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3;1H/t14-,17-,19-,21+,22-,31+,32-;/m0./s1
InChIKey
ZPHYPKKFSHAVOE-YZIXBPQXSA-N
Chemical Structure
2D Structure
2D structure of Theprubicin
CAS: 95343-20-7
CID: 20846247
Formula: C32H38ClNO12
MW: 664.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight664.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass663.2082533
Monoisotopic Mass663.2082533
Topological Polar Surface Area204 Ų
Heavy Atom Count46
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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