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N-(Pyrazinylcarbonyl)-L-phenylalanine - >98.0%(HPLC), high purity , CAS No.114457-94-2

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 114457-94-2
Molecular Weight: 271.28
MDL number: MFCD09800536
PubChem CID: 15042559
PubChem SID: 488198794

In stock

Item Number

N159866

Grouped product items
SKU	Size	Availability	Price
N159866-250mg	250mg	3	$17.90
N159866-1g	1g	3	$55.90
N159866-5g	5g	5	$247.90
N159866-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$446.90
N159866-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,004.90
N159866-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,615.90

View related series

Chemical Biology (1255) N-protected amino acids (344)

Basic Description

Synonyms	1093959-75-1 \| SCHEMBL535687 \| A803186 \| AMY1063 \| (2S)-3-Phenyl-2-[[(pyrazin-2-yl)carbonyl]amino]propanoic Acid \| (S)-3-phenyl-2-(pyrazine-2-carboxamido)propanoicacid \| CS-W020144 \| Q-102519 \| (2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanoic acid \| CP4
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

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 Phenylalanine 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	Phenylalanine and derivatives
Alternative Parents	N-acyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives Pyrazinecarboxamides 2-heteroaryl carboxamides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Monocyclic benzene moiety - Pyrazine - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	488198794
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488198794
IUPAC Name	(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid
INCHI	InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKey	DWYZPDHMMZGQAP-NSHDSACASA-N
Smiles	C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=NC=CN=C2
Isomeric SMILES	C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=NC=CN=C2
Alternate CAS	114457-94-2
Molecular Weight	271.28
Reaxy-Rn	25785475
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25785475&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
E2029096	Certificate of Analysis	Mar 08, 2024	N159866
L2312053	Certificate of Analysis	Dec 21, 2023	N159866
L2214140	Certificate of Analysis	Dec 16, 2022	N159866

Chemical and Physical Properties

Solubility	Slightly soluble in Methanol
Specific Rotation[α]	10° (C=1,MeOH)
Melt Point(°C)	169 °C
Molecular Weight	271.270 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	271.096 Da
Monoisotopic Mass	271.096 Da
Topological Polar Surface Area	92.200 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	343.000
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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