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662348

Sigma-Aldrich

6-Bromo-2H-1,4-benzoxazin-3(4H)-one

97%

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About This Item

Empirical Formula (Hill Notation):
C8H6BrNO2
CAS Number:
24036-52-0
Molecular Weight:
228.04
MDL number:
MFCD00461173
UNSPSC Code:
12352100
PubChem Substance ID:
24884586
NACRES:
NA.22

Assay

97%

form

solid

mp

220-225 °C

functional group

bromo

SMILES string

Brc1ccc2OCC(=O)Nc2c1

InChI

1S/C8H6BrNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)

InChI key

UQCFMEFQBSYDHY-UHFFFAOYSA-N

Application

Building block used in the construction of pyrimidinyl substituted benzoxazinones, small molecule rennin inhibitors.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBH2598V
MKBG8283V
MKBG0981V
27997LJ
MKAA0008

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Noel A Powell et al.
Bioorganic & medicinal chemistry, 15(17), 5912-5949 (2007-06-19)
We report the design and synthesis of a series of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as orally bioavailable small molecule inhibitors of renin. Compounds with a 2-methyl-2-aryl substitution pattern exhibit potent renin inhibition and good permeability, solubility, and metabolic stability. Oral bioavailability was found

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