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
- Modify Date.: 2022-11-22 20:16
- Introduction: XL019 is used in the synthesis of JAK-2 modulators for the treatment of related diseases. XL019Supplier
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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
- 2.1 Density
- 1.290±0.06 g/cm3 (20 oC 760 Torr),
- 2.1 Refractive index
- 1.662
- 2.1 Precise Quality
- 444.227386
- 2.1 PSA
- 91.41000
- 2.1 logP
- 1.71
- 2.1 Solubility
- 几乎不溶 (0.031 g/L) (25 oC),
3. Use and Manufacturing
- 3.1 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
- CACTVS Substructure Key Fingerprint: AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAAAB0AAAHgAQAAAADCjhngY90JfIFACoAzV3dACCgCkxAqAJ2KG4ZJiKaLLA2fGXJAholALYyCcYgYAOCACAAAAAAAAQAQAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
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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
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XL019
- Purity:99%Packing: 200kg/bag FOB
- Price: 1 USD/gram
- Time: 2019/02/25
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8. Realated Product Infomation
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