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BE-12406B

CAT: 0013-GTR19240204-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240204-02Size:50 mg
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Description
BE-12406B is a Streptomyces-derived antitumor agent effective against both drug-sensitive and multidrug-resistant (e.g., vincristine- and doxorubicin-resistant) P388 murine leukemia cell lines in vitro. It serves as a valuable research tool for studying mechanisms of cytotoxicity and overcoming chemotherapy resistance in oncology models.
CAS Number
132417-97-1
Smiles
OC1=C2C=3C (=C4C (=C (O[C@H]5[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O5) C3) C (O) =CC=C4) OC (=O) C2=CC (C) =C1
Molecular Formula
C24H22O9
Molecular Weight
454.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BE 12406B

from streptomycete strain BA12406; structure given in first source

CAS Number132417-97-1
PubChem CID3081261
IUPAC Name1,10-dihydroxy-8-methyl-12-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynaphtho[1,2-c]isochromen-6-one
Molecular FormulaC24H22O9
Molecular Weight454.4
XLogP2.3
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity733
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C3C(=C4C(=C2)C5=C(C=C(C=C5O)C)C(=O)O4)C=CC=C3O)O)O)O
InChI
InChI=1S/C24H22O9/c1-9-6-13-17(15(26)7-9)12-8-16(32-24-21(29)20(28)19(27)10(2)31-24)18-11(4-3-5-14(18)25)22(12)33-23(13)30/h3-8,10,19-21,24-29H,1-2H3/t10-,19-,20+,21+,24-/m0/s1
InChIKey
ZGDUJABECFPJCG-NYPUNPOJSA-N
Chemical Structure
2D Structure
2D structure of BE 12406B
CAS: 132417-97-1
CID: 3081261
Formula: C24H22O9
MW: 454.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.4
XLogP32.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass454.12638228
Monoisotopic Mass454.12638228
Topological Polar Surface Area146 Ų
Heavy Atom Count33
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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