Z-Indirubin-[d4] - CAS 906748-38-7
Catalog: |
BB039926 |
Product Name: |
Z-Indirubin-[d4] |
CAS: |
906748-38-7 |
Synonyms: |
Z-Indirubin-D4; Z-Indigopurpurin-d4; (Z)-[2,3'-biindolinylidene]-2',3-dione-d4 |
Related CAS: | 906748-38-7 (unlabelled) 479-41-4 (unlabelled)
|
IUPAC Name: | (Z)-2-(4,5,6,7-tetradeuterio-2-hydroxy-1H-indol-3-yl)indol-3-one |
Description: | Z-Indirubin-[d4] is the labelled isomer of Indirubin, which is an inhibitor of GSK-3β and cyclin-dependent kinases. |
Molecular Weight: | 266.29 |
Molecular Formula: | C16H6D4N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O |
InChI: | InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H/i1D,3D,5D,7D |
InChI Key: | JNLNPCNGMHKCKO-DNZPNURCSA-N |
Purity: | > 99 % by HPLC; > 98 % atom D |
Solubility: | Slightly soluble in DMSO |
Appearance: | Burgundy solid |
Storage: | Store at -20 °C |
LogP: | 2.88130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113491755-A | Combined prescription for treating cervical HPV infection | 20210728 |
CN-113288954-A | Traditional Chinese medicine composition, preparation method and application thereof | 20210708 |
CN-113181340-A | Qingbing powder formula for treating recurrent oral ulcer and preparation method thereof | 20210608 |
CN-113144115-A | Traditional Chinese medicine composition for treating verruca vulgaris and application thereof | 20210603 |
CN-113197981-A | Application of Shuqing granules in preparation of medicine for treating novel coronavirus pneumonia | 20210603 |
PMID | Publication Date | Title | Journal |
31505164 | 20191001 | Modulation of glioma-inflammation crosstalk profiles in human glioblastoma cells by indirubin-3'-(2,3 dihydroxypropyl)-oximether (E804) and 7-bromoindirubin-3'-oxime (7BIO) | Chemico-biological interactions |
26887594 | 20160601 | Methylisoindigo preferentially kills cancer stem cells by interfering cell metabolism via inhibition of LKB1 and activation of AMPK in PDACs | Molecular oncology |
25789073 | 20150401 | Enhancing effects of indirubin on the arsenic disulfide-induced apoptosis of human diffuse large B-cell lymphoma cells | Oncology letters |
25329374 | 20141017 | A Structural Switch between Agonist and Antagonist Bound Conformations for a Ligand-Optimized Model of the Human Aryl Hydrocarbon Receptor Ligand Binding Domain | Biology |
24637189 | 20140528 | Intervention effects of QRZSLXF, a Chinese medicinal herb recipe, on the DOR-β-arrestin1-Bcl2 signal transduction pathway in a rat model of ulcerative colitis | Journal of ethnopharmacology |
Complexity: | 448 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.074227566 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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