ARRY-520 - ≥98% , Kinesin-like protein 1 inhibitor, CAS No.885060-09-3, Kinesin-like protein 1 inhibitor

CAS: 885060-09-3 Cat. No.: A126249 Formule: C₂₀H₂₂F₂N₄O₂S Poids moléculaire: 420.48

GRADE & PURITY ≥98%

Synonyms

EX-A678 | (S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3(2H)-carboxamide. | Arry520 | ARRY-520 | GLYFIX CS 50 | 8A49OSO368 | Filanesib (USAN/INN) | BCP07442 | D11754 | J-519598 | Filanesib [INN] | Filanesib [U

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

EX-A678 | (S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3(2H)-carboxamide. | Arry520 | ARRY-520 | GLYFIX CS 50 | 8A49OSO368 | Filanesib (USAN/INN) | BCP07442 | D11754 | J-519598 | Filanesib [INN] | Filanesib [U

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

ARRY-520 is a synthetic, small molecule targeting the kinesin spindle protein (KSP) with potential antineoplastic activity. ARRY-520 had low nanomolar antiproliferative activity in tumor cell lines. KSP inhibitor ARRY-520 specifically inh

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Kinesin-like protein 1 inhibitor

Pureté

≥98%

Propriétés du produit

• ALogP: 3.3

Noms et identifiants

• Pubchem Sid: 504770317
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770317
• Sourires canoniques: CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC
• IUPAC Name: (2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
• InChIKey: LLXISKGBWFTGEI-FQEVSTJZSA-N
• INCHI: 1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1
• Isomères SMILES: CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC
• Poids moléculaire: 420.48
• Reaxy-Rn: 12616142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12616142&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Fluorobenzenes Aralkylamines Aryl fluorides Thiadiazolines Semicarbazides Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylbutylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Semicarbazide - Thiadiazoline - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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

Cibles associées (humaines)

KIF11 Tchem Kinesin-like protein KIF11 (4 Activities)

Discover Target: KIF11

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

HCT-116 (91556 Activities)

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

HepG2 (196354 Activities)

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

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO
• Poids moléculaire: 420.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 420.143 Da
• Monoisotopic Mass: 420.143 Da
• Topological Polar Surface Area: 96.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 605.000
• 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