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162042-44-6,MFCD00944944
Catalog No.:AA001SLL

162042-44-6 | 2H-3,1-Benzoxazin-2-one, 1-[1-[4-[(1-acetyl-4-piperidinyl)oxy]-2-methoxybenzoyl]-4-piperidinyl]-1,4-dihydro-

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5mg
≥99%(HPLC)
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10mg
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25mg
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50mg
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100mg
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA001SLL
Chemical Name:
2H-3,1-Benzoxazin-2-one, 1-[1-[4-[(1-acetyl-4-piperidinyl)oxy]-2-methoxybenzoyl]-4-piperidinyl]-1,4-dihydro-
CAS Number:
162042-44-6
Molecular Formula:
C28H33N3O6
Molecular Weight:
507.5781
MDL Number:
MFCD00944944
SMILES:
COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C
Properties
Computed Properties
 
Complexity:
823  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
5  
XLogP3:
3  

Literature

Title: Oral oxytocin antagonists.

Journal: Journal of medicinal chemistry 20100923

Title: Selectivity of d[Cha4]AVP and SSR149415 at human vasopressin and oxytocin receptors: evidence that SSR149415 is a mixed vasopressin V1b/oxytocin receptor antagonist.

Journal: British journal of pharmacology 20051101

Title: A Gly/Ala switch contributes to high affinity binding of benzoxazinone-based non-peptide oxytocin receptor antagonists.

Journal: FEBS letters 20050117

Title: Identification of potent and selective oxytocin antagonists. Part 1: indole and benzofuran derivatives.

Journal: Bioorganic & medicinal chemistry letters 20020520

Title: Identification of potent and selective oxytocin antagonists. Part 2: further investigation of benzofuran derivatives.

Journal: Bioorganic & medicinal chemistry letters 20020520

Title: Spontaneous contractions of myometrium from humans, non-human primate and rodents are sensitive to selective oxytocin receptor antagonism in vitro.

Journal: BJOG : an international journal of obstetrics and gynaecology 20010901

Title: Development of orally active oxytocin antagonists: studies on 1-(1-[4-[1-(2-methyl-1-oxidopyridin-3-ylmethyl)piperidin-4-yloxy]-2- methoxybenzoyl]piperidin-4-yl)-1,4-dihydrobenz[d][1,3]oxazin-2-one (L-372,662) and related pyridines.

Journal: Journal of medicinal chemistry 19980604

Title: Williams PD, et al. 1-(1--[(N-acetyl-4-piperidinyl)oxy-2-methoxybenzoylpiperidin-4- yl)-4H-3,1-benzoxazin-2(1H)-one (L-371,257): a new, orally bioavailable, non-peptide oxytocin antagonist. J Med Chem. 1995 Nov 10;38(23):4634-6.

Title: Tunstall BJ, et al. Oxytocin blocks enhanced motivation for alcohol in alcohol dependence and blocks alcohol effects on GABAergic transmission in the central amygdala. PLoS Biol. 2019 Apr 16;17(4):e2006421.

Title: Jacqueline M Ho, et al. Hindbrain oxytocin receptors contribute to the effects of circulating oxytocin on food intake in male rats. Endocrinology. 2014 Aug;155(8):2845-57.

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Tags:162042-44-6 Molecular Formula|162042-44-6 MDL|162042-44-6 SMILES|162042-44-6 2H-3,1-Benzoxazin-2-one, 1-[1-[4-[(1-acetyl-4-piperidinyl)oxy]-2-methoxybenzoyl]-4-piperidinyl]-1,4-dihydro-