4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid
Product Information
Molecular Formula
C10H13BO3
Molecular Weight
192.02
Description
4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid is a key intermediate compound used in the biomedical industry. It plays a crucial role in the development of drugs to treat various diseases. This product serves as a building block in the synthesis of novel pharmaceutical compounds targeting cancer, diabetes, and autoimmune disorders. Its unique structure enables the modification of drug molecules, enhancing their binding affinity and therapeutic efficacy.
Synonyms
(4-(1-(Hydroxymethyl)cyclopropyl)phenyl)boronic acid; [4-[1-(hydroxymethyl)cyclopropyl]phenyl]boronic acid; (4-(1-(Hydroxymethyl)cyclopropyl)-phenyl)boronic acid; {4-[1-(Hydroxymethyl)cyclopropyl]phenyl}boronic acid; (4-(1-(Hydroxymethyl)cyclopropyl)phenyl)boronicacid; 4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid
IUPAC Name
[4-[1-(hydroxymethyl)cyclopropyl]phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)C2(CC2)CO)(O)O
InChI
InChI=1S/C10H13BO3/c12-7-10(5-6-10)8-1-3-9(4-2-8)11(13)14/h1-4,12-14H,5-7H2
InChI Key
RSZPBFYCGLSBAF-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
192.0957744 g/mol
Monoisotopic Mass
192.0957744 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
196
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 |
|---|---|---|
| WO-2019138107-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| CA-3087807-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| CN-111601810-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 2018-01-15 |
| EP-3740493-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| JP-2021510706-A | Indoleamine 2,3-dioxygenase and / or tryptophan 2,3-dioxygenase inhibitor | 2018-01-15 |
| EP-3740493-B1 | Inhibteurs de l'indoleamine 2,3-dioxygénase et/ou du tryptophane dioxygénase | 2018-01-15 |
| AU-2018276611-A1 | Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 | 2017-05-31 |
| EP-3633380-A1 | Method for predicting therapeutic effect of lsd1 inhibitor based on expression of insm1 | 2017-05-31 |
| JP-WO2018221555-A1 | Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 | 2017-05-31 |
