Cyclo(-Phe-Pro) - ≥97% , CAS No.3705-26-8

CAS: 3705-26-8 Cat. No.: C347697 Formula: C₁₄H₁₆N₂O₂ Peso molecolare: 244.29 Numero EC: 223-047-0

QUALITÀ & PUREZZA ≥97%

Synonyms

MLS001208545 | Q27104973 | pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-, (3S,8aS)- | SCHEMBL2019443 | AS-56632 | CHEBI:69440 | 4-[(1Z)-1,5-dimethyl-hexa-1,4-dienyl]-1-methyl-cyclohexene | BDBM163710 | Cyclo L-Pro-L-Phe (Fr. 2-2) | cyclo(L

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

MLS001208545 | Q27104973 | pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-, (3S,8aS)- | SCHEMBL2019443 | AS-56632 | CHEBI:69440 | 4-[(1Z)-1,5-dimethyl-hexa-1,4-dienyl]-1-methyl-cyclohexene | BDBM163710 | Cyclo L-Pro-L-Phe (Fr. 2-2) | cyclo(L

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥97%

Proprietà del prodotto

pKa

pKa: 13.21 (Predicted)

Nomi e identificatori

Pubchem Sid

528771956

Sorrisi canonici

C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3

IUPAC Name

(3S,8aS)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

InChIKey

QZBUWPVZSXDWSB-RYUDHWBXSA-N

INCHI

1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s1

Isomeri SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CC=CC=C3

Peso molecolare

244.29

Reaxy-Rn

88583

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=88583&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: 2,5-dioxopiperazines N-alkylpiperazines Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: organic molecular entity

Data sources

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

Obiettivi associati (umani)

TACR1 Tclin Neurokinin 1 receptor (6273 Activities)

Discover Target: TACR1

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HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Bacillus cereus (7522 Activities)

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Candida albicans (78123 Activities)

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J774.A1 (2436 Activities)

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RAW264.7 (28094 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Indice di rifrazione: n20D1.61 (Predicted)
• Punto di ebollizione (°C): 509.53 °C at 760 mmHg (Predicted)
• Punto di fusione (°C): 146 - 148 °C
• Peso molecolare: 244.290 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 244.121 Da
• Monoisotopic Mass: 244.121 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 350.000
• 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