PK68 - Moligand™,≥97% , CAS No.2173556-69-7

CAS: 2173556-69-7 Cat. No.: P647632 Molecular Weight: 424.52 PubChem CID: 134203923

GRADE & PURITY Moligand™, ≥97%

Synonyms

Cyclohexyl (5-(2-acetamidobenzo[d]thiazol-6-yl)-2-methylpyridin-3-yl)carbamate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PK68 is a specifical type II inhibitor of receptor-interacting kinase 1 (RIPK1) with an IC50 of ~90 nM, displays inhibition of RIPK1-dependent necroptosis. PK68 powerfully ameliorates TNF-induced systemic inflammatory response syndrome, and can be used for the research of inflammatory disorders and cancer metastasis.

Specifications

Synonyms

Cyclohexyl (5-(2-acetamidobenzo[d]thiazol-6-yl)-2-methylpyridin-3-yl)carbamate

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

PK68 is a potent orally active and specifical type II inhibitor of receptor-interacting kinase 1 (RIPK1) with an IC 50 of ~90u2009nM, displays inhibition of RIPK1-dependent necroptosis . PK68 powerfully ameliorates TNF-induced systemic inflammatory respon

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C)NC(=O)OC4CCCCC4
• IUPAC Name: cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpyridin-3-yl]carbamate
• InChIKey: DRCNWQYEKZTTEW-UHFFFAOYSA-N
• INCHI: 1S/C22H24N4O3S/c1-13-19(26-22(28)29-17-6-4-3-5-7-17)10-16(12-23-13)15-8-9-18-20(11-15)30-21(25-18)24-14(2)27/h8-12,17H,3-7H2,1-2H3,(H,26,28)(H,24,25,27)
• Isomeric SMILES: CC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C)NC(=O)OC4CCCCC4
• PubChem CID: 134203923
• MeSH Entry Terms: N-(6-(2-bromoacetyl)benzo(d)thiazol-2-yl)acetamide;PK68
• Molecular Weight: 424.52

Associated Targets(Human)

HT-29 (80576 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

• Solubility: DMSO : 30 mg/mL (70.67 mM; Need ultrasonic)
• Molecular Weight: 424.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 424.157 Da
• Monoisotopic Mass: 424.157 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 615.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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