Indole-4-boronic acid
Product Information
Molecular Formula
C8H8BNO2
Molecular Weight
160.97
Description
Indole-4-boronic acid is a chemical compound applied in the realm of biomedicine with remarkable anti-inflammatory attributes. Encouraging outcomes have been observed in its utilization for alleviating a diverse range of inflammatory ailments, encompassing rheumatoid arthritis and inflammatory bowel disease. Furthermore, this product serves as an indispensable cornerstone in the synthesis of innovative pharmaceutical agents tailored to combat these aforementioned pathological conditions.
Synonyms
1H-indol-4-ylboronic Acid; (1H-indol-4-yl)boronic acid; 4-Boronoindole; 1h-indole-4-boronic acid; 1H-INDOL-4-YL-4-BORONIC ACID; Boronic acid, 1H-indol-4-yl-; (1h)-indol-4-ylboronic acid; 4-Indoleboronic acid; 4-indolylboronic acid; 4-indole boronic acid; 4-indole-boronic acid; indole 4-boronic acid; 1H-Indole-4-ylboronic acid; (1H-indol-4-yl)boronicacid; 1H-indole-4-yl-boronic acid; 1H-indol-4-ylboronic acid; (1H-Indol-4-yl)boronic acid
IUPAC Name
1H-indol-4-ylboronic acid
SMILES
B(C1=C2C=CNC2=CC=C1)(O)O
InChI
InChI=1S/C8H8BNO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10-12H
InChI Key
USJUQEVUEBCLLR-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
161.0648087 g/mol
Monoisotopic Mass
161.0648087 g/mol
Topological Polar Surface Area
56.2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113845515-A | Aromatic heterocyclic structure-containing dimethyl biphenyl diaryl pyrimidine derivative and preparation method and application thereof | 2021-09-03 |
| CN-113045582-A | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 2021-02-05 |
| WO-2022008475-A1 | Indole derivatives and uses thereof for treating a cancer | 2020-07-06 |
| CN-112920199-A | Piperazinone substituent or derivative thereof, and preparation method, application and pharmaceutical composition thereof | 2020-06-02 |
| WO-2021244346-A1 | Piperazinone substitute or derivative thereof, preparation method therefor and application thereof, and pharmaceutical composition | 2020-06-02 |
| WO-2021244505-A1 | New pyrazine compound | 2020-06-01 |
| CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 2020-01-15 |
| WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 2020-01-15 |
| WO-2021115335-A1 | Compound as cyclin-dependent kinase 9 inhibitor and use thereof | 2019-12-09 |
| WO-2021076572-A1 | Ergoline-like compounds for promoting neural plasticity | 2019-10-14 |
