sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Palovarotene

Palovarotene

CAS No.:
410528-02-8
Catalog Number:
AG00C6H0
Molecular Formula:
C27H30N2O2
Molecular Weight:
414.5393
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$279
- +
10mg
99%
1 week
United States
$418
- +
50mg
99%
1 week
United States
$1376
- +
100mg
99%
1 week
United States
$2279
- +
Product Description
Catalog Number:
AG00C6H0
Chemical Name:
Palovarotene
CAS Number:
410528-02-8
Molecular Formula:
C27H30N2O2
Molecular Weight:
414.5393
MDL Number:
MFCD10565968
IUPAC Name:
4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
InChI:
InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+
InChI Key:
YTFHCXIPDIHOIA-DHZHZOJOSA-N
SMILES:
OC(=O)c1ccc(cc1)/C=C/c1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C
UNII:
28K6I5M16G
Properties
Complexity:
662  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
414.231g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
414.549g/mol
Monoisotopic Mass:
414.231g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  
Literature
Title Journal
Randomised controlled trial for emphysema with a selective agonist of the γ-type retinoic acid receptor. The European respiratory journal 20120801
The COPD Pipeline XIII. COPD 20111201
Potent inhibition of heterotopic ossification by nuclear retinoic acid receptor-γ agonists. Nature medicine 20110401
Retinoid treatment of Emphysema in Patients on the Alpha-1 International Registry. The REPAIR study: study design, methodology and quality control of study assessments. Therapeutic advances in respiratory disease 20101201
The COPD pipeline VII. COPD 20101201
Palovarotene, a novel retinoic acid receptor gamma agonist for the treatment of emphysema. Current opinion in investigational drugs (London, England : 2000) 20091101
Treatment of patients who have fibrodysplasia ossificans progressiva with isotretinoin. Clinical orthopaedics and related research 19980101
Properties