Varlitinib
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
Molecular Identity
Varlitinib
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
PubChem CID: 42642648
Varlitinib is a member of the class of quinazolines that is quinazoline substituted by {3-chloro-4-[(1,3-thiazol-2-yl)methoxy]phenyl}amino and [(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]amino groups at positions 4 and 6, respectively. It is a tyrosine kinase inhibitor of both ErbB-2 (Her-2/neu) and EGFR and has shown significant anti-tumour activity in preclinical models of human breast, lung, and epidermal carcinoma tumours. It has a role as an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, an apoptosis inducer and an epidermal growth factor receptor antagonist. It is an aromatic ether, a quinazoline, an oxazoline, a member of 1,3-thiazoles, a substituted aniline, a secondary amino compound and a member of monochlorobenzenes.
2D Structure
Properties
C22H19ClN6O2S
Molecular Formula
466.90
Molecular Weight
g/mol
466.0979
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
122
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
660
Complexity
SMILES
Canonical SMILES
SMILES: CC1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)ClIsomeric SMILES
SMILES: C[C@@H]1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)ClSynonyms(20)
VARLITINIB845272-21-1ARRY-334543ARRY-543ASLAN-001ASLAN001varlitinibum846Y8197W1AR-003345434-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamineDTXSID501025597AR003345434-N-(3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl)-6-N-((4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamineRefChem:901736DTXCID301509860
Data from PubChem (NCBI)
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