Products for Research Use Only
RegisterLogin

Sulfo-DGN462 sodium

CAT: 0013-GTR19189682Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19189682Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Sulfo-DGN462 sodium is a prodrug that converts to the active DNA-alkylating agent DGN462 in physiological conditions. DGN462 demonstrates potent anti-tumor activity, particularly in acute myeloid leukemia (AML) research, with efficacy shown in both in vitro cellular assays and in vivo xenograft models.
CAS Number
1401203-09-5
Field of Research
Molecular Biology
Smiles
[Na].[H][C@@]12Cc3ccccc3N1C (=O) c1cc (OC) c (OCc3cc (COc4cc5NC ([C@]6 ([H]) Cc7ccccc7N6C (=O) c5cc4OC) S (O) (=O) =O) cc (c3) N (CCOCCOCCOC) CC (C) (C) S) cc1NC2
Molecular Formula
C53H60N5NaO12S2
Molecular Weight
1046.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 171360543
CAS Number1401203-09-5
PubChem CID171360543
Molecular FormulaC53H61N5NaO12S2
Molecular Weight1047.2
Topological Polar Surface Area196
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count21
Heavy Atom Count73
Formal Charge0
Complexity1900
SMILES
CC(C)(CN(CCOCCOCCOC)C1=CC(=CC(=C1)COC2=C(C=C3C(=C2)NC([C@@H]4CC5=CC=CC=C5N4C3=O)S(=O)(=O)O)OC)COC6=C(C=C7C(=C6)NC[C@@H]8CC9=CC=CC=C9N8C7=O)OC)S.[Na]
InChI
InChI=1S/C53H61N5O12S2.Na/c1-53(2,71)32-56(14-15-67-18-19-68-17-16-64-3)37-21-33(30-69-48-27-41-39(25-46(48)65-4)51(59)57-38(29-54-41)23-35-10-6-8-12-43(35)57)20-34(22-37)31-70-49-28-42-40(26-47(49)66-5)52(60)58-44-13-9-7-11-36(44)24-45(58)50(55-42)72(61,62)63;/h6-13,20-22,25-28,38,45,50,54-55,71H,14-19,23-24,29-32H2,1-5H3,(H,61,62,63);/t38-,45-,50?;/m0./s1
InChIKey
ZLAOQITZPIMXHY-XSTPADGUSA-N
Chemical Structure
2D Structure
2D structure of CID 171360543
CAS: 1401203-09-5
CID: 171360543
Formula: C53H61N5NaO12S2
MW: 1047.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1047.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count21
Exact Mass1046.36558403
Monoisotopic Mass1046.36558403
Topological Polar Surface Area196 Ų
Heavy Atom Count73
Formal Charge0
Complexity1900
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19219369-01Sulfo-SPDB-DGN462
GTR19229778-01DGN462
GTR19177928-01Sulfo-SMCC sodium
GTR19234489-01Sulfo-SPP sodium
GTR19216762-01Sulfo-SMCC sodium
GTR19224939-01Sulfo-SIAB sodium
GTR19202595Sulfo-SMPB sodium
GTR19244976-01Sulfo-SANPAH sodium
GTR19264836-01Sulfo-NHS-Acetate sodium
GTR19244977-01Sulfo-KMUS sodium salt

Alternative Products

CatalogName
HY-101150ASulfo-DGN462 (sodium)
MBS5799404sulfo-DGN462 sodium
HY-W123028Sulfo-SANPAH (sodium)
MBS5771586Sulfo-SIAB sodium
BUP11004-01Sulfo-SMCC sodium
HY-D0975-01Sulfo-SMCC (sodium)
T87739-01Sulfo-SPP sodium
T19568Sulfo-SMPB sodium
HY-129655Sulfo-SMPB (sodium)
HY-129377ASulfo-SPP (sodium)

Popular Products