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3-Nitro-L-tyrosine - 2mM in DMSO, high purity , CAS No.621-44-3

COA

Grade & Purity:

2mM in DMSO

Cas Number: 621-44-3
Molecular Weight: 226.19
Beilstein Registry Number: 2813157
EC Number: 210-688-6
PubChem CID: 65124

In stock

Item Number

N425146

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SKU	Size	Availability	Price	Qty
N425146-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

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Compound libraries (12325) Metabolite (5307)

Basic Description

Synonyms	3-Nitro-L-tyrosine \| 621-44-3 \| H-Tyr(3-NO2)-OH \| 3-Nitrotyrosine \| L-3-Nitrotyrosine \| L-Tyrosine, 3-nitro- \| Tyrosine, 3-nitro- \| Tyrosine, 3-nitro-, L- \| Meta-Nitro-Tyrosine \| (S)-2-Amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid \| (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)
Specifications & Purity	2mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Tyrosine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Tyrosine and derivatives
Alternative Parents	Phenylalanine and derivatives Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Nitrophenols Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic oxides Monoalkylamines Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Nitrophenol - L-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Amino acid - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	non-proteinogenic L-alpha-amino acid - L-tyrosine derivative - 3-nitrotyrosine
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

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	(2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
INCHI	InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKey	FBTSQILOGYXGMD-LURJTMIESA-N
Smiles	C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O
Isomeric SMILES	C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O
WGK Germany	3
Molecular Weight	226.19
Beilstein	2813157
Reaxy-Rn	2219127
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2219127&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Specific Rotation[α]	3° (C=1,1mol/L HCl)
Melt Point(°C)	233-235°C
Molecular Weight	226.190 g/mol
XLogP3	-2.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	226.059 Da
Monoisotopic Mass	226.059 Da
Topological Polar Surface Area	129.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	278.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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