P1 - ≥98%(HPLC) , CAS No.1461648-55-4

CAS: 1461648-55-4 Cat. No.: P287917 Molecular Weight: 583.7 PubChem CID: 91826082

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-O-(ethenylsulfonyl)-N-4-pentyn-1-yl-L-tyrosinamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-[(1, 1-Dimethylethoxy)carbonyl]-L-phenylalanyl-O-(ethenylsulfonyl)-N-4-pentyn-1-yl-L-tyrosinamide

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Protein disulfide isomerase (PDI) inhibitor (IC50= 1.7μM). Inhibits proliferation of numerous cancer cell lines. Cell permeable.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C=C)C(=O)NCCCC#C
• IUPAC Name: [4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxo-3-(pent-4-ynylamino)propyl]phenyl] ethenesulfonate
• InChIKey: RNMDSOKRNOMQFX-UIOOFZCWSA-N
• INCHI: 1S/C30H37N3O7S/c1-6-8-12-19-31-27(34)25(21-23-15-17-24(18-16-23)40-41(37,38)7-2)32-28(35)26(20-22-13-10-9-11-14-22)33-29(36)39-30(3,4)5/h1,7,9-11,13-18,25-26H,2,8,12,19-21H2,3-5H3,(H,31,34)(H,32,35)(H,33,36)/t25-,26-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)C=C)C(=O)NCCCC#C
• PubChem CID: 91826082
• Molecular Weight: 583.7

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 58.37, Max Conc. mM: 100

References

1. Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Yulun Nie, Yanxin Wang.  (2020)  Broad-spectrum pesticide screening by multiple cholinesterases and thiocholine sensors assembled high-throughput optical array system.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33254811] [10.1016/j.jhazmat.2020.123830]

2. Shengxin Chen, Ruixia Liu, Yajing Li, Ruirui Zhang, Cong Zhao, Hongguo Tang, Congzhen Qiao, Suojiag Zhang.  (2017)  Relationship of basicity and hydrogen bond properties of ionic liquids with its catalytic performance: Application to synthesis of propylene glycol methyl ether.  CATALYSIS COMMUNICATIONS,      [PMID:] [10.1016/j.catcom.2017.03.018]