Boc-Cys(trt)-OH - ≥99% , CAS No.21947-98-8

CAS: 21947-98-8 Cat. No.: B103066 Peso molecular: 463.59 Beilstein Registry Number: 2028965 Número EC: 244-674-6

GRADE & PURITY ≥99%

Synonyms

(2R)-2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoic acid;Boc-Cys(Trt)-OH | N-alpha-t-Butyloxycarbonyl-S-trityl-L-cysteine | BS-21032 | (R)-2-((tert-Butoxycarbonyl)amino)-3-(tritylthio)propanoic acid | J-300086 | N-BOC-S-trityl-cysteine | Boc-S-tr

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(2R)-2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoic acid;Boc-Cys(Trt)-OH | N-alpha-t-Butyloxycarbonyl-S-trityl-L-cysteine | BS-21032 | (R)-2-((tert-Butoxycarbonyl)amino)-3-(tritylthio)propanoic acid | J-300086 | N-BOC-S-trityl-cysteine | Boc-S-tr

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504766101
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766101
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
• IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoic acid
• InChIKey: JDTOWOURWBDELG-QHCPKHFHSA-N
• INCHI: 1S/C27H29NO4S/c1-26(2,3)32-25(31)28-23(24(29)30)19-33-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,28,31)(H,29,30)/t23-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
• WGK Alemania: 3
• Peso molecular: 463.59
• Beilstein: 2028965
• Reaxy-Rn: 2572425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2572425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Cysteine and derivatives Benzene and substituted derivatives Carbamate esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Cysteine or derivatives - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• External Descriptors: Not available

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

Objetivos asociados (humanos)

HeLa (62764 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive
• Rotación específica [α]: [α]D 29° (C=1,EtOH)
• Punto de fusión (°C): 147 °C(dec.)
• Peso molecular: 463.600 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 463.182 Da
• Monoisotopic Mass: 463.182 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 583.000
• 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

Referencias

1. Xi Li, Qingzhu Liu, Siqin Ye, Shijie Wang, Ke Li, Gaochao Lv, Ying Peng, Ling Qiu, Jianguo Lin.  (2019)  A protease-responsive fluorescent probe for sensitive imaging of legumain activity in living tumor cells.  Chemical Biology & Drug Design,  94  (2): (1494-1503).  [PMID:31002467] [10.1111/cbdd.13530]

2. Xueyu Zhao, Gaochao Lv, Ying Peng, Qingzhu Liu, Xi Li, Shanshan Wang, Ke Li, Ling Qiu, Jianguo Lin.  (2018)  Targeted Delivery of an Activatable Fluorescent Probe for the Detection of Furin Activity in Living Cells.  CHEMBIOCHEM,  19  (10): (1060-1065).  [PMID:29465834] [10.1002/cbic.201800015]