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Methylisoindigotin

CAT: 1410-M16877-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16877-01Size:5 mg
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Description
Meisoindigo (Natura-α; N-Methylisoindigotin; Dian III), a derivative of Indigo naturalis, might induce apoptosis and myeloid differentiation of acute myeloid leukemia (AML) .
CAS Number
97207-47-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
276.29
Molecular Formula
C17H12N2O2
Notes
Research use only, not for human use.
Receptor
Apoptosis inducer

Chemical Information

Meisoindigo

See also: Meisoindigo (annotation moved to).

CAS Number97207-47-1
PubChem CID126274
IUPAC Name3-(2-hydroxy-1-methylindol-3-yl)indol-2-one
Molecular FormulaC17H12N2O2
Molecular Weight276.29
XLogP2.6
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity614
SMILES
CN1C2=CC=CC=C2C(=C1O)C3=C4C=CC=CC4=NC3=O
InChI
InChI=1S/C17H12N2O2/c1-19-13-9-5-3-7-11(13)15(17(19)21)14-10-6-2-4-8-12(10)18-16(14)20/h2-9,21H,1H3
InChIKey
XZYXCQXTKOYHGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Meisoindigo
CAS: 97207-47-1
CID: 126274
Formula: C17H12N2O2
MW: 276.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.29
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass276.089877630
Monoisotopic Mass276.089877630
Topological Polar Surface Area54.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19160628-01Methylisoindigotin
MBS130512-01Meisoindigo(Natura-?; N-Methylisoindigotin; Dian III),

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