Litronesib - ≥97% , Kinesin-like protein 1 inhibitor, CAS No.910634-41-2, Kinesin-like protein 1 inhibitor

CAS: 910634-41-2 Cat. No.: L650229 Molecular Weight: 511.70 PubChem CID: 25167017

GRADE & PURITY ≥97%

Synonyms

Litronesib [USAN:INN] | Q27263928 | Litronesib [USAN] | (-)-N-(4-(2,2-DIMETHYLPROPANOYL)-5-((((2-(ETHYLAMINO)ETHYL)SULFONYL)AMINO)METHYL)-5- PHENYL-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)-2,2-DIMETHYLPROPANAMIDE | D09636 | 6611F8KYCV | SB18860 | (5-hydroxy-6-m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Litronesib (LY2523355) is a selective Eg5 inhibitor. Litronesib (25 nM) induces cancer cells to death during mitotic arrest, and this needs sustained activation of spindle-assembly checkpoint (SAC). MCE has not independently confirmed the accuracy of these methods.

Litronesib (LY2523355; 1.1, 3.3, 10, and 30 mg/kg, i.v.) shows antitumor activity in a dose-dependently, and causes a dramatic increase in cancer cells immuno-positive for histone H3 phosphorylation in Colo205 xenograft tumors .

Specifications

Synonyms

Litronesib [USAN:INN] | Q27263928 | Litronesib [USAN] | (-)-N-(4-(2, 2-DIMETHYLPROPANOYL)-5-((((2-(ETHYLAMINO)ETHYL)SULFONYL)AMINO)METHYL)-5- PHENYL-4, 5-DIHYDRO-1, 3, 4-THIADIAZOL-2-YL)-2, 2-DIMETHYLPROPANAMIDE | D09636 | 6611F8KYCV | SB18860 | (5-hydroxy-6-m

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Litronesib (LY2523355) is a selective mitosis-specific kinesin Eg5 inhibitor, with antitumor activity.

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

Mechanism of action

Kinesin-like protein 1 inhibitor

Purity

≥97%

Product Properties

• ALogP: 3.1

Names and Identifiers

• Canonical Smiles: CCNCCS(=O)(=O)NCC1(N(N=C(S1)NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C2=CC=CC=C2
• IUPAC Name: N-[(5R)-4-(2,2-dimethylpropanoyl)-5-[[2-(ethylamino)ethylsulfonylamino]methyl]-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
• InChIKey: YVAFBXLHPINSIK-QHCPKHFHSA-N
• INCHI: 1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1
• Isomeric SMILES: CCNCCS(=O)(=O)NC[C@@]1(N(N=C(S1)NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C2=CC=CC=C2
• Alternate CAS: 910634-41-2
• PubChem CID: 25167017
• MeSH Entry Terms: (-)-N-(4-(2,2-dimethyl-propionyl)-5-((2-ethylamino-ethanesulfonylamino)-methyl)-5- phenyl-4,5-dihydro-(1,3,4)thiadiazol-2-yl)-2,2-dimethyl-propionamide;(R)-N-(4-(2,2-dimethyl-propionyl)-5-((2-ethylamino-ethanesulfonylamino)-methyl)-5- phenyl-4,5-dihydro-(
• Molecular Weight: 511.70

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organosulfonamides Organic sulfonamides Thiadiazolines Aminosulfonyl compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Thiadiazoline - Sulfonyl - Amino acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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)

KIF11 Tchem Kinesin-like protein KIF11 (2 Activities)

Discover Target: KIF11

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

KIF11 Tchem Kinesin-like protein 1 (1720 Activities)

Discover Target: KIF11

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 50 mg/mL (97.71 mM)
• Molecular Weight: 511.700 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 511.229 Da
• Monoisotopic Mass: 511.229 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 865.000
• 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