Home Nitriles 4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile

4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile

CAS No.:
906673-24-3
Catalog Number:
AG00GU0U
Molecular Formula:
C14H10BNO3
Molecular Weight:
251.0451
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$150
- +
250mg
97%
In Stock USA
United States
$275
- +
1g
97%
In Stock USA
United States
$738
- +
5g
97%
In Stock USA
United States
$2188
- +
Product Description
Catalog Number:
AG00GU0U
Chemical Name:
4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile
CAS Number:
906673-24-3
Molecular Formula:
C14H10BNO3
Molecular Weight:
251.0451
MDL Number:
MFCD17169940
IUPAC Name:
4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
InChI:
InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
InChI Key:
USZAGAREISWJDP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O
UNII:
Q2R47HGR7P
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.048g/mol
Monoisotopic Mass:
251.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Crisaborole: Phosphodiesterase inhibitor for treatment of atopic dermatitis. Drugs of today (Barcelona, Spain : 1998) 20170401
Efficacy and safety of crisaborole ointment, a novel, nonsteroidal phosphodiesterase 4 (PDE4) inhibitor for the topical treatment of atopic dermatitis (AD) in children and adults. Journal of the American Academy of Dermatology 20160901
Tolerability of Crisaborole Ointment for Application on Sensitive Skin Areas: A Randomized, Double-Blind, Vehicle-Controlled Study in Healthy Volunteers. American journal of clinical dermatology 20160101
A review of phosphodiesterase-inhibition and the potential role for phosphodiesterase 4-inhibitors in clinical dermatology. Dermatology online journal 20140516
Design and synthesis of boron-containing PDE4 inhibitors using soft-drug strategy for potential dermatologic anti-inflammatory application. Bioorganic & medicinal chemistry letters 20100401
Discovery and structure-activity study of a novel benzoxaborole anti-inflammatory agent (AN2728) for the potential topical treatment of psoriasis and atopic dermatitis. Bioorganic & medicinal chemistry letters 20090415
Properties