Products for Research Use Only
RegisterLogin

NB-506 glucuronide

CAT: 0013-GTR19210172-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19210172-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
NB-506 glucuronide is a glucuronidated metabolite of the indolocarbazole derivative NB-506, functioning as a DNA topoisomerase I inhibitor. It is utilized in cancer research to study drug metabolism, efficacy, and resistance mechanisms in both cellular and animal models of oncology.
CAS Number
217187-87-6
Smiles
O=C1C2=C3C (=C4C (=C2C (=O) N1NC=O) C=5C (N4) =C (O[C@@H]6O[C@H] (C (O) =O) [C@@H] (O) [C@H] (O) [C@H]6O) C=CC5) N (C=7C3=CC=CC7O) [C@@H]8O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]8O
Molecular Formula
C33H30N4O16
Molecular Weight
738.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NB 506 glucuronide
CAS Number217187-87-6
PubChem CID10462699
IUPAC Name(2S,3S,4S,5R,6S)-6-[[13-formamido-21-hydroxy-12,14-dioxo-23-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC33H30N4O16
Molecular Weight738.6
XLogP-1.2
Topological Polar Surface Area314
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Heavy Atom Count53
Formal Charge0
Complexity1460
SMILES
C1=CC2=C(C(=C1)O)N(C3=C4C(=C5C(=C23)C(=O)N(C5=O)NC=O)C6=C(N4)C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
InChI
InChI=1S/C33H30N4O16/c38-7-13-22(41)23(42)26(45)31(51-13)36-20-10(4-1-5-11(20)40)15-17-16(29(47)37(30(17)48)34-8-39)14-9-3-2-6-12(18(9)35-19(14)21(15)36)52-33-27(46)24(43)25(44)28(53-33)32(49)50/h1-6,8,13,22-28,31,33,35,38,40-46H,7H2,(H,34,39)(H,49,50)/t13-,22-,23+,24+,25+,26-,27-,28+,31-,33-/m1/s1
InChIKey
FSEPVVMERYDPRB-ZLNMQOEFSA-N
Chemical Structure
2D Structure
2D structure of NB 506 glucuronide
CAS: 217187-87-6
CID: 10462699
Formula: C33H30N4O16
MW: 738.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight738.6
XLogP3-1.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Exact Mass738.16568088
Monoisotopic Mass738.16568088
Topological Polar Surface Area314 Ų
Heavy Atom Count53
Formal Charge0
Complexity1460
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19209658-01NB-506 Free Base
GTR19218893β-Glucuronide-NB-bis[N (Me) -methyl ester]-MMAE
GTR19187891-01TL8-506
GTR19236434-01CP-506
GTR19212053-01AB-506
GTR19196684-01PSD-506
GTR19205314-01NCT-506
GTR19173560-01FK-506
GTR19208594-01LEQ-506
GTR19225109-01PDdEC-NB

Alternative Products

CatalogName
T69838-01NB-506 glucuronide
T80692-01β-Glucuronide-NB-bis[N (Me) -methyl ester]-MMAE
MBS5822346beta-Glucuronide-NB-bis[N(Me)-methyl ester]-MMAE
T70513-01NB-506 Free Base
BA6307-10TL8-506
GPD09899-01NCT-506
T86085-01CP-506
3631/10FK 506
abx076538-01FK-506
HY-19244JTV-506

Popular Products