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Zipalertinib

CAT: 0607-A4683-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A4683-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1661854-97-2
Product Name Alternative
(S)-N-(4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)acrylamide
Sequence
TAS6417; CLN-081
Purity
0.9917
Solubility
≥23.85 mg/mL in DMSO; ≥5.23 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
NC1=C2C(N(C[C@@H](NC(C=C)=O)C=C3C)C3=C2C4=CC5=CC=CC=C5N=C4)=NC=N1
Molecular Formula
C23H20N6O
Molecular Weight
396.45
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Zipalertinib

Zipalertinib is a member of the class of acrylamides that is (8S)-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine in which the amino group at position 8S is substituted by an acryloyl group. It a covalent epidermal growth factor receptor inhibitor that targets exon 20 insertion mutations. It has a role as an antineoplastic agent, an apoptosis inducer and an epidermal growth factor receptor antagonist. It is a secondary carboxamide, a member of acrylamides, a member of quinolines, an organic heterotricyclic compound, an aromatic amine and a primary amino compound.

CAS Number1661854-97-2
PubChem CID117918742
IUPAC NameN-[(8S)-4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
Molecular FormulaC23H20N6O
Molecular Weight396.4
XLogP2.3
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity710
SMILES
CC1=C[C@@H](CN2C1=C(C3=C(N=CN=C32)N)C4=CC5=CC=CC=C5N=C4)NC(=O)C=C
InChI
InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
InChIKey
MKCYPWYURWOKST-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Zipalertinib
CAS: 1661854-97-2
CID: 117918742
Formula: C23H20N6O
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass396.16985928
Monoisotopic Mass396.16985928
Topological Polar Surface Area98.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity710
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
HY-112299-01Zipalertinib
C13690-01Zipalertinib (TAS6417)
A19541-2Zipalertinib (TAS6417) 2mg
A19541-1Zipalertinib (TAS6417) 1mg
A19541-10Zipalertinib (TAS6417) 10mg
A19541-25Zipalertinib (TAS6417) 25mg
A19541-500Zipalertinib (TAS6417) 500mg
A19541-100Zipalertinib (TAS6417) 100mg
A19541-50Zipalertinib (TAS6417) 50mg
A19541-5Zipalertinib (TAS6417) 5mg

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