Mavelertinib

CAT: 0607-BA6334-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA6334-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

1776112-90-3

Form

A solid

Molecular Formula

C18H22FN9O2

Molecular Weight

415.42

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Mavelertinib

Mavelertinib is under investigation in clinical trial NCT02349633 (Study for Patients With NSCLC EGFR Mutations (Del 19 or L858R +/- T790M)).

CAS Number	1776112-90-3
PubChem CID	91668194
IUPAC Name	N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-methylpurin-2-yl]pyrrolidin-3-yl]prop-2-enamide
Molecular Formula	C18H22FN9O2
Molecular Weight	415.4
XLogP	1.2
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	643

SMILES

CN1C=C(C(=N1)OC)NC2=C3C(=NC(=N2)N4C[C@H]([C@@H](C4)F)NC(=O)C=C)N(C=N3)C

InChI

InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1

InChIKey

JYIUNVOCEFIUIU-GHMZBOCLSA-N

Chemical Structure

2D Structure

CAS: 1776112-90-3

CID: 91668194

Formula: C18H22FN9O2

MW: 415.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	415.4
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	415.18804914
Monoisotopic Mass	415.18804914
Topological Polar Surface Area	115 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	643
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19201794-01	Mavelertinib

Mavelertinib

Chemical Information

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