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Aryl Hydrocarbon Receptor
UPF 648 - ≥98%(HPLC), high purity , CAS No.213400-34-1

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UPF 648 - ≥98%(HPLC), high purity , CAS No.213400-34-1

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 213400-34-1
Molecular Weight: 259.09
PubChem CID: 9859947

In stock

Item Number

U287879

Grouped product items
SKU	Size	Availability	Price
U287879-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90
U287879-5mg	-	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90
U287879-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$308.90

Potent kynurenine 3-monooxygenase (KMO) inhibitor

Basic Description

Synonyms	(1S,2S)-2-[(3,4-Dichlorophenyl)carbonyl]cyclopropane-1-carboxylic acid \| DBCC
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent kynurenine 3-monooxygenase (kynurenine 3-hydroxylase; KMO) inhibitor (IC50= 20 nM). Increases kynurenic acid levels, and decreases 3-HK and QUIN levels in cerebrum and liver of neonatal rodents. Neuroprotective in aDrosophilamodel of Huntington's d
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Gamma-keto acids and derivatives Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Cyclopropanecarboxylic acids Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Gamma-keto acid - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Keto acid - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KMO Tchem Kynurenine 3-monooxygenase (1 Activities)

Discover Target: KMO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid
INCHI	InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1
InChIKey	ZBRKMOHDGFGXLN-BQBZGAKWSA-N
Smiles	C1C(C1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl
Isomeric SMILES	C1[C@@H]([C@H]1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl
PubChem CID	9859947
Molecular Weight	259.09

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:ethanol, Max Conc. mg/mL: 25.91, Max Conc. mM: 100
Molecular Weight	259.079 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	257.985 Da
Monoisotopic Mass	257.985 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	318.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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