4-Cyanomethylphenylboronic acid
Product Information
Molecular Formula
C8H8NO2B
Molecular Weight
160.97
Description
4-Cyanomethylphenylboronic acid is a crucial compound in biomedical research. It exhibits potent inhibitory effects against specific enzymes involved in the progression of various diseases. This product is commonly utilized in drug discovery studies for the development of novel therapeutics aimed at treating cancer, diabetes, and other related ailments.
Synonyms
(4-CYANOMETHYLPHENYL)BORONIC ACID; 4-(CYANOMETHYL)BENZENEBORONIC ACID; RARECHEM AH PB 0157; 4-Boronophenylacetonitrile; 4-(Cyanomethyl)benzeneboronicacid,98%; 4-Cyanomethylbenzeneboronc acid
IUPAC Name
[4-(cyanomethyl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)CC#N)(O)O
InChI
InChI=1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
InChI Key
YKVMTTIYBSVPEQ-UHFFFAOYSA-N
Boiling Point
375.7°C at 760mmHg
Melting Point
138-142°C
Flash Point
Not applicable
Purity
98%
Density
1.2g/cm3
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
161.0648087 g/mol
Monoisotopic Mass
161.0648087 g/mol
Topological Polar Surface Area
64.2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
179
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-114085195-A | Biodegradable film material with light conversion function, preparation method thereof and film doping material thereof | 2021-11-30 |
| CN-113831510-A | Covalent organic framework based on benzoselenadiazole and preparation method and application thereof | 2021-06-24 |
| CN-113527318-A | Preparation of carbon-carbon double-bond-connected covalent organic microporous material and application of material in photolysis of water | 2021-06-02 |
| CN-112479928-A | Synthetic method of phenylacetonitrile aromatic mechanical response fluorescent material | 2020-12-03 |
| CN-111973742-A | Nanometer probe capable of visually guiding photodynamic therapy and preparation method and application thereof | 2020-08-28 |
| CN-111875628-A | Fluorescent probe with aggregation-induced emission characteristic, preparation method and application | 2020-08-14 |
| WO-2022031772-A1 | Therapeutic composition of cure-pro compounds for targeted degradation of bet domain proteins, and methods of making and usage | 2020-08-07 |
| WO-2022031774-A2 | Therapeutic cure-pro compounds for targeted degradation of bet domain proteins, and methods of making and using them | 2020-08-07 |
| WO-2022031777-A2 | Therapeutically useful cure-pro molecules for e3 ligase mediated degradation of proteins, and methods of making and using them | 2020-08-07 |
| EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
