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Ilginatinib

CAT: 0926-PZB35886-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-PZB35886-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1239358-86-1
MDL Number
MFCD28502056
Smiles
CC (C1=CC=C (C=C1) F) NC2=CC (=CC (=N2) NC3=NC=CN=C3) C4=CN (N=C4) C
Molecular Formula
C21H20FN7
Molecular Weight
389.43 g/mol
Controlled
No

Chemical Information

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine

NS-018 has been used in trials studying the treatment of Primary Myelofibrosis, Post-Polycythemia Vera Myelofibrosis, and Post-Essential Thrombocythemia Myelofibrosis.

CAS Number1239358-86-1
PubChem CID46866319
IUPAC Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
Molecular FormulaC21H20FN7
Molecular Weight389.4
XLogP3.2
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity501
SMILES
C[C@@H](C1=CC=C(C=C1)F)NC2=CC(=CC(=N2)NC3=NC=CN=C3)C4=CN(N=C4)C
InChI
InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1
InChIKey
UQTPDWDAYHAZNT-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CAS: 1239358-86-1
CID: 46866319
Formula: C21H20FN7
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass389.17642183
Monoisotopic Mass389.17642183
Topological Polar Surface Area80.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS133062Ilginatinib
MBS5753601Ilginatinib hydrochloride
BUP12491-01Ilginatinib maleate
HY-19631-01Ilginatinib (maleate)
HY-19631AR-01Ilginatinib (Standard)
A16224-200Ilginatinib (NS-018) 200mg
A16224-1Ilginatinib (NS-018) 1mg
A16224-100Ilginatinib (NS-018) 100mg

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