5-Bromoindole - CAS 10075-50-0
Catalog: |
BB000327 |
Product Name: |
5-Bromoindole |
CAS: |
10075-50-0 |
Synonyms: |
5-bromo-1H-indole |
Application: |
A potential inhibitor of GSK-3. |
IUPAC Name: | 5-bromo-1H-indole |
Description: | 5-Bromoindole is a GSK-3 inhibitor. |
Molecular Weight: | 196.04 |
Molecular Formula: | C8H6BrN |
Canonical SMILES: | C1=CC2=C(C=CN2)C=C1Br |
InChI: | InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H |
InChI Key: | VXWVFZFZYXOBTA-UHFFFAOYSA-N |
Boiling Point: | 316.9 °C at 760 mmHg |
Melting Point: | 90-92 °C |
Purity: | > 98 % |
Density: | 1.66 g/cm3 |
Solubility: | Keep in dark place, Inert atmosphere, Store in freezer, under -20°C |
Appearance: | Off-white solid |
Storage: | Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD00005670 |
LogP: | 2.93040 |
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-113321673-A | Preparation method and application of neobynine boric acid compound | 20210618 |
CN-113336751-A | High-efficiency salt-induced kinase inhibitor and preparation method thereof | 20210531 |
CN-112574198-A | Indolated derivative of tetrahydro-beta-carboline and preparation and application thereof | 20210125 |
CN-112574198-B | Indolated derivative of tetrahydro-beta-carboline and preparation and application thereof | 20210125 |
CN-112778280-A | Anthraquinone natural product modified derivative | 20210108 |
PMID | Publication Date | Title | Journal |
22019468 | 20111201 | Identification of novel CYP2A6 inhibitors by virtual screening | Bioorganic & medicinal chemistry |
21660577 | 20111001 | Biocatalysed halogenation of nucleobase analogues | Biotechnology letters |
21124025 | 20110101 | Evaluation of novel aminomethyl indole derivatives as Src kinase inhibitors and antioxidant agents | Chemotherapy |
20692741 | 20101001 | Synthesis and anticancer activity of 5-(3-indolyl)-1,3,4-thiadiazoles | European journal of medicinal chemistry |
21587781 | 20100605 | 1-[(E)-4-(5-Bromo-1H-indol-3-yl)-1-methyl-2,5,6,7-tetra-hydro-1H-azepin-2-yl-idene]propan-2-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.96836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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