UKI-1 - ≥96% , CAS No.220355-63-5

CAS: 220355-63-5 Cat. No.: U651172 Fórmula: C₃₂H₄₇N₅O₅S Peso molecular: 613.81 PubChem CID: 9895193

GRADE & PURITY ≥96%

Synonyms

BDBM23891 | MS-30724 | WX-UK1 | AKOS030526723 | ethyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-{[2,4,6-tris(propan-2-yl)benzene]sulfonamido}propanoyl]piperazine-1-carboxylate | A911340 | UNII-00LOF6890B | 3-amidinophenylalanine deriv., 35 | 1-Piperazinecarboxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

UKI-1 (WX-UK1) is a potent urokinase-type plasminogen activator (uPA) inhibitor with a K i of 0.41 μM. UKI-1 is also a low molecular weight serine protease inhibitor. UKI-1 is a potent antimetastatic agent and inhibits the invasive capacity of carcinoma cells

In Vitro

UKI-1 (WX-UK1; 0.1-1.0 μg/mL) treatment shows a decrease of tumor cell invasion by up to 50% is achieved in both models with the SCCHN line FaDu and the cervical carcinoma line HeLa. UKI-1 (WX-UK1) interferes with the plasminogen activation system at 2 levels: it inhibits plasmin formation directly and via inhibition of uPA. In vitro invasion models with highly invasive fibrosarcoma and breast cancer cells showed that UKI-1 effectively inhibits migration of the cells through fibrin matrices. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

UKI-1 (WX-UK1) treatment has antimetastatic activities that significantly reduces the number of metastatic lesions and tumor growth in metastasizing rat pancreatic and mammary adenocarcinoma tumor models . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Ki: 0.41 μM (Urokinase-type plasminogen activator (uPA)),Serine protease

Specifications

Sinónimos

BDBM23891 | MS-30724 | WX-UK1 | AKOS030526723 | ethyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-{[2,4,6-tris(propan-2-yl)benzene]sulfonamido}propanoyl]piperazine-1-carboxylate | A911340 | UNII-00LOF6890B | 3-amidinophenylalanine deriv., 35 | 1-Piperazinecarboxy

Especificações e pureza

≥96%

Mecanismos bioquímicos e fisiológicos

UKI-1 (WX-UK1) is a potent urokinase-type plasminogen activator (uPA) inhibitor with a K i of 0.41 μM. UKI-1 is also a low molecular weight serine protease inhibitor. UKI-1 is a potent antimetastatic agent and inhibits the invasive capacity of carcinoma c

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Sorrisos canónicos: CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C
• IUPAC Name: ethyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate
• InChIKey: ISJSHQTWOHGCMM-NDEPHWFRSA-N
• INCHI: 1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
• SMILES isoméricas: CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C
• CAS alternativo: 220355-63-5
• PubChem CID: 9895193
• Termos de entrada MeSH: N-alpha-(2,4,6-triisopropyl-phenylsulfonyl)-3-amidino-(L)-phenyl-alanine-4-ethoxycarbonyl-piperazide hydrochloride;WX-UK1
• Peso molecular: 613.81

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
            • Level7 Alpha amino acid amides

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Amphetamines and derivatives Benzenesulfonamides Piperazine carboxylic acids Phenylpropanes Benzenesulfonyl compounds Cumenes Organosulfonamides Carbamate esters Aminosulfonyl compounds Tertiary carboxylic acid amides Carboximidamides Carboxamidines Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Amphetamine or derivatives - Benzenesulfonamide - Piperazine-1-carboxylic acid - Phenylpropane - Cumene - Benzenesulfonyl group - Benzenoid - Piperazine - Organosulfonic acid amide - 1,4-diazinane - Monocyclic benzene moiety - Aminosulfonyl compound - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid amidine - Amidine - Carboximidamide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Alvos associados (humanos)

ST14 Tchem Suppressor of tumorigenicity 14 protein (1 Activities)

Discover Target: ST14

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PLG Tclin Plasminogen (4 Activities)

Discover Target: PLG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PLAU Tchem Urokinase-type plasminogen activator (5 Activities)

Discover Target: PLAU

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Prothrombin (3 Activities)

Discover Target: F2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

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

PLG Tclin Plasminogen (2339 Activities)

Discover Target: PLG

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

KLKB1 Tclin Plasma kallikrein (2047 Activities)

Discover Target: KLKB1

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

PRSS1 Tclin Trypsin I (2306 Activities)

Discover Target: PRSS1

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

F10 Tclin Coagulation factor X (9693 Activities)

Discover Target: F10

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

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

Discover Target: PLAT

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

PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)

Discover Target: PLAU

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

ST14 Tchem Matriptase (677 Activities)

Discover Target: ST14

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

TPSG1 Tchem Tryptase gamma (16 Activities)

Discover Target: TPSG1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (162.92 mM; Need ultrasonic)
• Peso molecular: 613.800 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 613.33 Da
• Monoisotopic Mass: 613.33 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1030.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 220355-63-5, the molecular formula is C32H47N5O5S, and the molecular weight is 613.81 g/mol. InChIKey ISJSHQTWOHGCMM-NDEPHWFRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.