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elagolix

CAS No.:
834153-87-6
Catalog Number:
AG00G3RS
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
98%
1 week
United States
$140
- +
5mg
98%
1 week
United States
$223
- +
10mg
98%
1 week
United States
$307
- +
50mg
98%
1 week
United States
$807
- +
100mg
98%
1 week
United States
$1140
- +
Product Description
Catalog Number:
AG00G3RS
Chemical Name:
elagolix
CAS Number:
834153-87-6
MDL Number:
MFCD11973645
IUPAC Name:
4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
InChI:
InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1
InChI Key:
HEAUOKZIVMZVQL-VWLOTQADSA-N
UNII:
5B2546MB5Z
Properties
Complexity:
1080  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
631.211g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
631.6g/mol
Monoisotopic Mass:
631.211g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Discovery of 1-{4-[1-(2,6-difluorobenzyl)-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea (TAK-385) as a potent, orally active, non-peptide antagonist of the human gonadotropin-releasing hormone receptor. Journal of medicinal chemistry 20110728
Suppression of gonadotropins and estradiol in premenopausal women by oral administration of the nonpeptide gonadotropin-releasing hormone antagonist elagolix. The Journal of clinical endocrinology and metabolism 20090201
Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. Journal of medicinal chemistry 20081211
Properties