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Mk-7246

CAS No.:
1218918-62-7
Catalog Number:
AG003AO3
Molecular Formula:
C21H21FN2O4S
Molecular Weight:
416.4658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$515
- +
10mg
98%
1 week
United States
$890
- +
25mg
98%
1 week
United States
$1585
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3390
- +
Product Description
Catalog Number:
AG003AO3
Chemical Name:
Mk-7246
CAS Number:
1218918-62-7
Molecular Formula:
C21H21FN2O4S
Molecular Weight:
416.4658
MDL Number:
MFCD22741619
IUPAC Name:
2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
InChI:
InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
InChI Key:
JTCAGRAKUAAYDY-OAHLLOKOSA-N
SMILES:
OC(=O)Cc1c2CC[C@H](Cn2c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)F)C
UNII:
X0LHZ71TLK
Properties
Complexity:
704  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
416.121g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
416.467g/mol
Monoisotopic Mass:
416.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
UGT2B17 genetic polymorphisms dramatically affect the pharmacokinetics of MK-7246 in healthy subjects in a first-in-human study. Clinical pharmacology and therapeutics 20120701
CRTH2 antagonist MK-7246: a synthetic evolution from discovery through development. The Journal of organic chemistry 20120302
Discovery of potent, selective, and orally bioavailable alkynylphenoxyacetic acid CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. Journal of medicinal chemistry 20111027
New indole amide derivatives as potent CRTH2 receptor antagonists. Bioorganic & medicinal chemistry letters 20110601
Azaindoles as potent CRTH2 receptor antagonists. Bioorganic & medicinal chemistry letters 20110115
Pharmacological characterization of MK-7246, a potent and selective CRTH2 (chemoattractant receptor-homologous molecule expressed on T-helper type 2 cells) antagonist. Molecular pharmacology 20110101
Discovery of MK-7246, a selective CRTH2 antagonist for the treatment of respiratory diseases. Bioorganic & medicinal chemistry letters 20110101
Properties