Neptinib

CAT: 0931-T89923-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T89923-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2085843-51-0

Target

EGFR

Related Pathways

JAK/STAT signaling, Tyrosine Kinase/Adaptors, Angiogenesis

Bioactivity

Neptinib (NEP010), a derivative of Afatinib, exhibits enhanced antitumor properties and improved pharmacokinetics when administered orally. It demonstrates a notable suppression of tumor expansion in mouse models of non-small cell lung cancer harboring various EGFR mutations. Furthermore, Neptinib effectively inhibits the EGFR kinase family, exhibiting IC 50 values of 0.24 nM for EGFR wt, 7.25 nM for EGFR L858R/T790M, 0.46 nM for EGFR L858R, and 1.79 nM for EGFR T790M.

Smiles

N(C=1C2=C(C=C(OCC)C(NC(/C=C/CN(C)C)=O)=C2)N=CN1)C3=CC(Cl)=C(F)C=C3

Molecular Formula

C22H23ClFN5O2

Molecular Weight

443.9

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Neptinib

CAS Number	2085843-51-0
PubChem CID	132164916
IUPAC Name	(E)-N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular Formula	C22H23ClFN5O2
Molecular Weight	443.9
XLogP	4
Topological Polar Surface Area	79.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	610

SMILES

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN(C)C

InChI

InChI=1S/C22H23ClFN5O2/c1-4-31-20-12-18-15(11-19(20)28-21(30)6-5-9-29(2)3)22(26-13-25-18)27-14-7-8-17(24)16(23)10-14/h5-8,10-13H,4,9H2,1-3H3,(H,28,30)(H,25,26,27)/b6-5+

InChIKey

RTAAZCCTCLCXHX-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 2085843-51-0

CID: 132164916

Formula: C22H23ClFN5O2

MW: 443.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.9
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	443.1524308
Monoisotopic Mass	443.1524308
Topological Polar Surface Area	79.4 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	610
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
AR-N01304-01	Neptinib
AR-N01305-01	Neptinib-d5

Neptinib

Chemical Information

Alternative Products

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