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X-376

CAT: 0931-T3550-06Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T3550-06Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1365267-27-1
Target
C-Met/HGFR, ALK
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9872
Bioactivity
X-376 (Ensartinib) is an orally available small molecule inhibitor of the receptor tyrosine kinase anaplastic lymphoma kinase (ALK) with potential antineoplastic activity. Upon oral administration, X-396 binds to and inhibits ALK kinase, ALK fusion proteins, and ALK point mutation variants. Inhibition of ALK leads to the disruption of ALK-mediated signaling and eventually inhibits tumor cell growth in ALK-expressing tumor cells. ALK belongs to the insulin receptor superfamily and plays an important role in nervous system development.
Smiles
C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCN(C)CC1)c1c(Cl)ccc(F)c1Cl
Molecular Formula
C25H25Cl2FN6O3
Molecular Weight
547.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

X-396

X-376 is an inhibitor of the anaplastic lymphoma kinase (ALK) which can penetrate the blood brain barrier.

CAS Number1365267-27-1
PubChem CID56960447
IUPAC Name6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide
Molecular FormulaC25H25Cl2FN6O3
Molecular Weight547.4
XLogP3.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity784
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N)C(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C
InChI
InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1
InChIKey
ONPGOSVDVDPBCY-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of X-396
CAS: 1365267-27-1
CID: 56960447
Formula: C25H25Cl2FN6O3
MW: 547.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass546.1349222
Monoisotopic Mass546.1349222
Topological Polar Surface Area114 Ų
Heavy Atom Count37
Formal Charge0
Complexity784
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

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Alternative Products

CatalogName
C11955X-376
A20971-100X-376 100mg
A20971-50X-376 50mg
A20971-25X-376 25mg
HY-16590R-01X-376 (Standard)
A20971-1X-376 1mg
A20971-2X-376 2mg
A20971-10X-376 10mg
A20971-5X-376 5mg
A20971-10mM-DX-376 10mM * 1mL in DMSO

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