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SML2393

Sigma-Aldrich

XL019

≥98% (HPLC)

Synonym(e):

(2S)-N-[4-[2-[[4-(4-Morpholinyl)phenyl]amino]-4-pyrimidinyl]phenyl]-2-pyrrolidinecarboxamide, (S)-N-(4-(2-(4-Morpholinophenylamino)pyrimidin-4-yl)phenyl)pyrrolidine-2-carboxamide, N-(4-{2-[(4-Morpholin-4-ylphenyl)amino]pyrimidin-4-yl}phenyl)-L-prolinamide

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About This Item

Empirische Formel (Hill-System):
C25H28N6O2
CAS-Nummer:
945755-56-6
Molekulargewicht:
444.53
MDL-Nummer:
MFCD24386874
UNSPSC-Code:
12352200

Assay

≥98% (HPLC)

Form

powder

Farbe

white to beige

Löslichkeit

DMSO: 2 mg/mL

Lagertemp.

2-8°C

SMILES String

O=C(NC1=CC=C(C=C1)C2=NC(NC3=CC=C(C=C3)N4CCOCC4)=NC=C2)[C@H]5NCCC5

InChI

1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m0/s1

InChIKey

ISOCDPQFIXDIMS-QHCPKHFHSA-N

Biochem./physiol. Wirkung

XL019 is an ATP-binding site-targeting, orally active JAK2 subtype-selective Janus kinase inhibitor (IC50 in nM = 2.2/JAK2 vs. 134.3/JAK1, 214.2/JAK3, 348.3/TYK2) with much reduced or little activity against 116 other kinases (IC50 in nM = 125.4/PDGFRB, 139.7/FLT3, 225.8/c-KIT, 313.8/p70S6K, 370/MLK1, 375.4/IKKbeta, 483.6/KDR, 546.7/PDGFRA, 554.5/FLT4, 910.5/FLT; IC50 >1 μM toward remaining 106 kinases), CYP (1A2, 2C9, 2D6, 3A4 IC50 ≥20 μM), hERG (IC50 = 16 μM), and P-glycoprotein (IC50 >20 μM). XL019 effectively inhibits cellular STAT1/STAT3 phosphorylation both in HEL92.1.7 cultures (IC50 in nM = 386.4/pStat1 and 695/pStat3) and in HEL92.1.7 xenograft-derived tumor in mice in vivo (oral ED50 in mg/kg = 42/pStat1 and 210/pStat3) with significant HEL92.1.7 tumor suppression efficacy in mice (by 60% and 70% on day 14, respectively, with 200 and 300 mg/kg bid p.o. dosage).

Piktogramme

Health hazard
GHS08

Signalwort

Danger

H-Sätze

H372

Gefahreneinstufungen

STOT RE 1 Oral

Zielorgane

Central nervous system

Lagerklassenschlüssel

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable

Analysenzertifikate (COA)

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Die Dokumentenbibliothek aufrufen

Charles G Mullighan et al.
Proceedings of the National Academy of Sciences of the United States of America, 106(23), 9414-9418 (2009-05-28)
Pediatric acute lymphoblastic leukemia (ALL) is a heterogeneous disease consisting of distinct clinical and biological subtypes that are characterized by specific chromosomal abnormalities or gene mutations. Mutation of genes encoding tyrosine kinases is uncommon in ALL, with the exception of
Timothy Forsyth et al.
Bioorganic & medicinal chemistry letters, 22(24), 7653-7658 (2012-11-07)
We report the discovery of a series of 4-aryl-2-aminoalkylpyrimidine derivatives as potent and selective JAK2 inhibitors. High throughput screening of our in-house compound library led to the identification of hit 1, from which optimization resulted in the discovery of highly
Marilyn M Giacomini et al.
Drug metabolism and disposition: the biological fate of chemicals, 45(1), 76-85 (2016-11-03)
Inhibition of thiamine transporters has been proposed as a putative mechanism for the observation of Wernicke's encephalopathy and subsequent termination of clinical development of fedratinib, a Janus kinase inhibitor (JAKi). This study aimed to determine the potential for other JAKi

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