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XL019 structure
XL019 structure

XL019

Iupac Name:(2S)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
CAS No.:945755-56-6
Molecular Weight:444.52882
Introduction: XL019 is used in the synthesis of JAK-2 modulators for the treatment of related diseases. XL019Supplier View more+
1. Names and Identifiers
1.1 Name
XL019
1.2 Synonyms

2-Pyrrolidinecarboxamide, N-[4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]phenyl]-, (2S)- 2S)-N-[4-[2-[[4-(4-Morpholinyl)phenyl]amino]-4-pyrimidinyl]phenyl]-2-pyrrolidinecarboxamide XL019 N-[4-(2-{[4-(4-Morpholinyl)phenyl]amino}-4-pyrimidinyl)phenyl]-L-prolinamide Pyrrolidine-2-carboxylic acid {4-[2-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-phenyl}-amide s7036 XL 019. XL-019 XL019 2-Pyrrolidinecarboxamide, N-[4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]phenyl]-, (2S)- XL019/XL-019

1.3 CAS No.
945755-56-6
1.4 CID
57990869
1.5 Molecular Formula
C25H28N6O2 (isomer)
1.6 Inchi
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
1.7 InChkey
ISOCDPQFIXDIMS-QHCPKHFHSA-N
1.8 Canonical Smiles
C1CC(NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5
1.9 Isomers Smiles
C1C[C@H](NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5
2. Properties
3.1 Density
1.290±0.06 g/cm3 (20 oC 760 Torr),
3.1 Refractive index
1.662
3.1 Precise Quality
444.227386
3.1 PSA
91.41000
3.1 logP
1.71
3.1 Solubility
几乎不溶 (0.031 g/L) (25 oC),
3. Use and Manufacturing
4.1 Usage
XL019 is used in the synthesis of JAK-2 modulators for the treatment of related diseases. XL019Supplier
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Other Information
5.0 特征
Orally bioavailable JAK2-selective inhibitor and has been tested in Phase I clinical trials for treatment of Myelofibrosis.
5.1 Target
Value
5.2 JAK2 (Cell-free assay)
2.2 nM
5.3 PDGFRβ (Cell-free assay)
125.4 nM
5.4 JAK1 (Cell-free assay)
134.3 nM
5.5 FLT3 (Cell-free assay)
139.7 nM
5.6 JAK3 (Cell-free assay)
214.2 nM
5.7 Uses
XL019 is used in the synthesis of JAK-2 modulators for the treatment of related diseases.
6. Computational chemical data
  • Molecular Weight:444.52882g/mol
  • Molecular Formula:C25H28N6O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:444.22737416
  • Monoisotopic Mass:444.22737416
  • Complexity:614
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:91.4
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Recommended Suppliers
Global22SuppliersView all >>
XL019 945755-56-6 supplier
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
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  • Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
  • Tel:86-21-61723543
XL019
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
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  • Products:CHEMICALS of Lab Chemicals Synthesis; Process Research; Commissioned Manufacturing; Contract Production Confidentially
  • Tel:0086-021-13042155638
  • Tel:86-021-58380978
XL019
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2019/02/25
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XL019/High quality/Best price
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/metric ton
  • Time: 2019/02/25
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