Products for Research Use Only

Ilginatinib hydrochloride

CAT: 1568-C03241-100mgSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C03241-100mgSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1239358-85-0
Synonyms
NS-018 hydrochloride
Target
JAK
Applications
Angiogenesis
Molecular Formula
C21H20FN7.ClH
Additionnal Information
Ilginatinib hydrochloride (NS-018 hydrochloride) is a potent small-molecule inhibitor of JAK2 that is competitive with adenosine triphosphate (ATP) which exhibits 30–50-fold greater selectivity for JAK2 over other Jak-family kinases such as JAK1, JAK3, and TYK2.It inhibits JAK2, JAK1, JAK3, and TYK2 with IC50 of 0.72 nM, 33 nM, 39 nM, and 22 nM, respectively. It also showed potent inhibition of Src-family kinases, SRC and FYN. It can be used in research of myeloproliferative neoplasms.

Chemical Information

Ilginatinib hydrochloride
CAS Number1239358-85-0
PubChem CID89571724
IUPAC Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine;hydrochloride
Molecular FormulaC21H21ClFN7
Molecular Weight425.9
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
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.Cl
InChI
InChI=1S/C21H20FN7.ClH/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);1H/t14-;/m0./s1
InChIKey
XFNVGPXGVAXXSH-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of Ilginatinib hydrochloride
CAS: 1239358-85-0
CID: 89571724
Formula: C21H21ClFN7
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight425.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass425.1530996
Monoisotopic Mass425.1530996
Topological Polar Surface Area80.6 Ų
Heavy Atom Count30
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 Count2
Compound Is CanonicalizedYes

Popular Products