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Bromaminic acid

CAS No.:
116-81-4
Catalog Number:
AG000BCA
Molecular Formula:
C14H8BrNO5S
Molecular Weight:
382.1860
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$25
- +
5g
90%
In Stock USA
United States
$63
- +
25g
90%
In Stock USA
United States
$194
- +
100g
90%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG000BCA
Chemical Name:
Bromaminic acid
CAS Number:
116-81-4
Molecular Formula:
C14H8BrNO5S
Molecular Weight:
382.1860
MDL Number:
MFCD00035694
IUPAC Name:
1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid
InChI:
InChI=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)
InChI Key:
QZZSAWGVHXXMID-UHFFFAOYSA-N
SMILES:
Brc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O
EC Number:
204-159-9
UNII:
SBZ7FUN4BK
NSC Number:
7574
Properties
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.931g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
382.184g/mol
Monoisotopic Mass:
380.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Convergent synthesis of the potent P2Y receptor antagonist MG 50-3-1 based on a regioselective Ullmann coupling reaction. Molecules (Basel, Switzerland) 20120305
Immobilized laccase on a new cryogel carrier and kinetics of two anthraquinone derivatives oxidation. Applied biochemistry and biotechnology 20111201
Structural insights into the inhibition of cytosolic 5'-nucleotidase II (cN-II) by ribonucleoside 5'-monophosphate analogues. PLoS computational biology 20111201
Biodegradation of bromoamine acid using combined airlift loop reactor and biological activated carbon. Bioresource technology 20110301
Synthesis of alkyl- and aryl-amino-substituted anthraquinone derivatives by microwave-assisted copper(0)-catalyzed Ullmann coupling reactions. Nature protocols 20100501
Structure-activity relationships of anthraquinone derivatives derived from bromaminic acid as inhibitors of ectonucleoside triphosphate diphosphohydrolases (E-NTPDases). Purinergic signalling 20090301
Influence of Ecto-nucleoside triphosphate diphosphohydrolase activity on Trypanosoma cruzi infectivity and virulence. PLoS neglected tropical diseases 20090301
[Degradation characteristics of bromoamine acid by Sphingomonas sp. FL]. Huan jing ke xue= Huanjing kexue 20080901
The new incorporation bio-treatment technology of bromoamine acid and azo dyes wastewaters under high-salt conditions. Biodegradation 20080201
Combinatorial synthesis of anilinoanthraquinone derivatives and evaluation as non-nucleotide-derived P2Y2 receptor antagonists. Bioorganic & medicinal chemistry letters 20080101
Rapid and efficient microwave-assisted copper(0)-catalyzed ullmann coupling reaction: general access to anilinoanthraquinone derivatives. Organic letters 20070329
Properties