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

CAS: 21947-98-8 Cat. No.: B103066 Molecular Weight: 463.59 Beilstein Registry Number: 2028965 EC Number: 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

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

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504766101
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766101
• Canonical Smiles: 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
• Isomeric 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 Germany: 3
• Molecular Weight: 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
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

HeLa (62764 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Specific Rotation[α]: [α]D 29° (C=1,EtOH)
• Melt Point(°C): 147 °C(dec.)
• Molecular Weight: 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

References

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]