Products for Research Use Only
RegisterLogin

Biotin-doxorubicin

CAT: 0931-T208999-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T208999-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3026061-30-0
Target
Antibiotic, Topoisomerase, Apoptosis, Autophagy
Related Pathways
DNA Damage/DNA Repair, Microbiology/Virology, Apoptosis, Autophagy
Bioactivity
Biotin-doxorubicin is a biotin-labeled form of doxorubicin. Doxorubicin is a broad-spectrum anthracycline antibiotic and serves as a topoisomerase II (topoisomerase II) inhibitor.
Smiles
OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(COC(CCCC(NCCOCCOCCOCCOCCNC(CCCC[C@H]4[C@@]5([C@](CS4)(NC(=O)N5)[H])[H])=O)=O)=O)=O)(O)C2)C(O)=C6C1C(=O)C=7C(C6=O)=C(OC)C=CC7
Molecular Formula
C52H71N5O19S
Molecular Weight
1102.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Biotin-doxorubicin
CAS Number3026061-30-0
PubChem CID170453105
IUPAC Name[2-[(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]-2-oxoethyl] 5-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
Molecular FormulaC52H71N5O19S
Molecular Weight1102.2
XLogP0.1
Topological Polar Surface Area374
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count31
Heavy Atom Count77
Formal Charge0
Complexity2010
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)COC(=O)CCCC(=O)NCCOCCOCCOCCOCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)O)N)O
InChI
InChI=1S/C52H71N5O19S/c1-28-46(62)31(53)23-40(75-28)76-34-25-52(68,24-30-42(34)50(66)44-43(48(30)64)47(63)29-7-5-8-33(69-2)41(29)49(44)65)36(58)26-74-39(61)12-6-11-38(60)55-14-16-71-18-20-73-22-21-72-19-17-70-15-13-54-37(59)10-4-3-9-35-45-32(27-77-35)56-51(67)57-45/h5,7-8,28,31-32,34-35,40,45-46,62,64,66,68H,3-4,6,9-27,53H2,1-2H3,(H,54,59)(H,55,60)(H2,56,57,67)/t28-,31-,32-,34-,35-,40-,45-,46+,52-/m0/s1
InChIKey
YVYPMNQETRWBLT-UDMZLYAZSA-N
Chemical Structure
2D Structure
2D structure of Biotin-doxorubicin
CAS: 3026061-30-0
CID: 170453105
Formula: C52H71N5O19S
MW: 1102.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1102.2
XLogP30.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count31
Exact Mass1101.44639623
Monoisotopic Mass1101.44639623
Topological Polar Surface Area374 Ų
Heavy Atom Count77
Formal Charge0
Complexity2010
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T1456-01Doxorubicin
T70775-01Zoptarelin doxorubicin
TCL-00108-01Cholesterol-doxorubicin
T15161-01Doxorubicin-SMCC
T31567-01Doxorubicin-MVCP
T1020-01Doxorubicin hydrochloride
T18418-01N- (Iodoacetamido) -Doxorubicin
T207944-01N3-PEG4-DYKDDDD-Doxorubicin
T207875-01N3-PEG4-YPYDVPDYA-Doxorubicin
T77832-01Azide-PEG4-VC-PAB-Doxorubicin

Alternative Products

CatalogName
HY-152965Biotin-doxorubicin
D063-1MGDoxorubicin

Popular Products