CAY10621 (SKI 5C) - ≥98% , CAS No.120005-55-2

CAS: 120005-55-2 Cat. No.: C276256 Summenformel: C₂₆H₄₅NO₄ Molekulargewicht: 435.65

GRADE & PURITY ≥98%

Synonyms

tert-Butyl(4S)-4-hexadec-2-ynoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyme

tert-Butyl(4S)-4-hexadec-2-ynoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Selective SPHK 1 inhibitor (IC 50 = 3.3 μM). Induces cell cycle arrest in sub-G1 phase. Shows antiproliferative effects. Inhibits ERK1/2 and AKT signaling. Shows antitumor effects in vivo.

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CCCCCCCCCCCCCC#CC(=O)C1COC(N1C(=O)OC(C)(C)C)(C)C

IUPAC Name

tert-butyl (4S)-4-hexadec-2-ynoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

InChIKey

YGBSGZPIDCXNEH-QFIPXVFZSA-N

INCHI

1S/C26H45NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(28)22-21-30-26(5,6)27(22)24(29)31-25(2,3)4/h22H,7-18,21H2,1-6H3/t22-/m0/s1

Isomere SMILES

CCCCCCCCCCCCCC#CC(=O)[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C

Molekulargewicht

435.65

Reaxy-Rn

48382551

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48382551&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azolidines
      • Subclass Oxazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azolidines
• Subclass: Oxazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolidines
• Alternative Parents: Carbamate esters Alpha,beta-unsaturated ketones Ketones Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha,beta-unsaturated ketone - Carbamic acid ester - Oxazolidine - Ketone - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxazolidines. These are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds.
• 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

Zugehörige Ziele (menschlich)

SPHK2 Tchem Sphingosine kinase 2 (1579 Activities)

Discover Target: SPHK2

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

PRKCA Tchem Protein kinase C alpha (5923 Activities)

Discover Target: PRKCA

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

SPHK1 Tchem Sphingosine kinase 1 (1990 Activities)

Discover Target: SPHK1

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

HL-60 (67320 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO to 5 mM
• Molekulargewicht: 435.600 g/mol
• XLogP3: 8.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 435.335 Da
• Monoisotopic Mass: 435.335 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 620.000
• 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