Trans-1-Boc-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Product Information
Molecular Formula
C9H14BNO2
Molecular Weight
179.02
Description
Trans-1-Boc-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is a pivotal compound within the biomedical industry and assumes a paramount position in drug development for diverse ailments. Renowned for its pharmacological attributes, this acid finds application in synthesizing medications tailored for precise afflictions. Its multifarious uses encompass the mitigation of inflammation, management of pain, and combatting of neurological maladies.
Synonyms
2-((N,N-DIMETHYLAMINO)METHYL)BENZENEBORONIC ACID; 2-(N,N-DIMETHYLAMINOMETHYL)PHENYLBORONIC ACID; 2-((DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID; AKOS BRN-0065; 2-(N,N-DIMETHYLAMINOMETHY)PHENYLBORONIC ACID; 2-(N,N-Dimethylaminomethyl)phenylboronic acid,98%; 2-((di
IUPAC Name
[2-[(dimethylamino)methyl]phenyl]boronic acid
SMILES
B(C1=CC=CC=C1CN(C)C)(O)O
InChI
InChI=1S/C9H14BNO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h3-6,12-13H,7H2,1-2H3
InChI Key
VUDCTLOJEPCNRS-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
179.1117589 g/mol
Monoisotopic Mass
179.1117589 g/mol
Topological Polar Surface Area
43.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
153
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-2022028506-A1 | Sos1 inhibitor, pharmaceutical composition containing same, and use therefor | 2020-08-06 |
| WO-2021252555-A1 | Collagen 1 translation inhibitors and methods of use thereof | 2020-06-09 |
| EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
| WO-2021180795-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
| WO-2020121263-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| AU-2019398820-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| CA-3120667-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| CN-113195490-A | Triazolopyridin-3-one or salt thereof and pharmaceutical composition comprising same | 2018-12-14 |
| EP-3894408-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 4737 | 1976-04-29 | Bifurcated hydrogen bonds and flip--flop conformation in a modified nucleic acid base, gc6 Ade | Nature |
