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Unecritinib

CAT: 0607-BA6358-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6358-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1418026-92-2
Form
A solid
Molecular Formula
C23H24Cl2FN5O2
Molecular Weight
492.37
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Unecritinib

Unecritinib is an orally available, small molecule inhibitor of the receptor tyrosine kinases anaplastic lymphoma kinase (ALK), C-ros oncogene 1 (ROS1) and Met (hepatocyte growth factor receptor; HGFR; c-Met), with potential antineoplastic activity. Upon oral administration,unecritinib targets, binds to and inhibits the activity of ALK, ROS1 and c-Met, which leads to the disruption of ALK-, ROS1- and c-Met-mediated signaling and the inhibition of cell growth in ALK-, ROS1- and c-Met-expressing tumor cells. ALK, ROS1 and c-Met, overexpressed or mutated in many tumor cell types, play key roles in tumor cell proliferation, survival, invasion and metastasis.

CAS Number1418026-92-2
PubChem CID71506874
IUPAC NameN-[3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]acetamide
Molecular FormulaC23H24Cl2FN5O2
Molecular Weight492.4
XLogP3.5
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity658
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)NC(=O)C
InChI
InChI=1S/C23H24Cl2FN5O2/c1-13(21-18(24)3-4-19(26)22(21)25)33-20-9-15(10-28-23(20)30-14(2)32)16-11-29-31(12-16)17-5-7-27-8-6-17/h3-4,9-13,17,27H,5-8H2,1-2H3,(H,28,30,32)/t13-/m1/s1
InChIKey
HBWSXXBJOQKNBL-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Unecritinib
CAS: 1418026-92-2
CID: 71506874
Formula: C23H24Cl2FN5O2
MW: 492.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass491.1291086
Monoisotopic Mass491.1291086
Topological Polar Surface Area81.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity658
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
T63313-01Unecritinib

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