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Home Carbonyls 1-Azetidinecarboxamide, N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-, (2S)-

1-Azetidinecarboxamide, N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-, (2S)-

CAS No.:
157341-41-8
Catalog Number:
AG001PE5
Molecular Formula:
C31H40N4O6
Molecular Weight:
564.6725
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$335
- +
10mg
99%
1 week
United States
$473
- +
25mg
99%
1 week
United States
$765
- +
50mg
99%
1 week
United States
$1189
- +
100mg
99%
1 week
United States
$1932
- +
Product Description
Catalog Number:
AG001PE5
Chemical Name:
1-Azetidinecarboxamide, N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-, (2S)-
CAS Number:
157341-41-8
Molecular Formula:
C31H40N4O6
Molecular Weight:
564.6725
MDL Number:
MFCD00871548
IUPAC Name:
(2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-4-oxoazetidine-1-carboxamide
InChI:
InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1
InChI Key:
ZSDCIRYNTCVTMF-GIGWZHCTSA-N
SMILES:
CCC[C@H](c1ccc2c(c1)OCO2)NC(=O)N1C(=O)C([C@@H]1Oc1ccc(cc1)C(=O)N1CCN(CC1)C)(CC)CC
UNII:
3Q0469283P
Properties
Complexity:
928  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
564.295g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
564.683g/mol
Monoisotopic Mass:
564.295g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Alterations in gastric mucosal lineages before or after acute oxyntic atrophy in gastrin receptor and H2 histamine receptor-deficient mice. Digestive diseases and sciences 20090801
Altered gastric chief cell lineage differentiation in histamine-deficient mice. American journal of physiology. Gastrointestinal and liver physiology 20090601
Inhibition of the activation of multiple serine proteases with a cathepsin C inhibitor requires sustained exposure to prevent pro-enzyme processing. The Journal of biological chemistry 20070720
Potentiation of oxyntic atrophy-induced gastric metaplasia in amphiregulin-deficient mice. Gastroenterology 20070501
Altered metaplastic response of waved-2 EGF receptor mutant mice to acute oxyntic atrophy. American journal of physiology. Gastrointestinal and liver physiology 20060401
Omeprazole treatment ameliorates oxyntic atrophy induced by DMP-777. Digestive diseases and sciences 20060301
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Current drug metabolism 20051001
Intracellular inhibition of human neutrophil elastase by orally active pyrrolidine-trans-lactams. Bioorganic & medicinal chemistry letters 20010122
Properties