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Rogaratinib

CAT: 1568-C13485-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C13485-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1443530-05-9
Synonyms
BAY-1163877
SKU
C13485-1mg
Target
FGFR
Applications
Protein Tyrosine Kinase
Smiles
CC1=CC2=C (C (=C1) OC) SC (=C2) C3=C4C (=NC=NN4C (=C3COC) CN5CCNC (=O) C5) N
Molecular Formula
C23H26N6O3S
Additionnal Information
Rogaratinib (BAY-1163877) is a highly potent and selective small molecule inhibitor of pan‐FGFR kinase activity, which specifically inhibits FGFR1, 2, 3 and 4 with an IC50 values of 1.8 nM, <1 nM, 9.2 nM and 1.2 nM respectively. It demonstrates robust efficacy in cancers with altered FGFR mRNA expression.

Chemical Information

Rogaratinib

Rogaratinib is under investigation in clinical trial NCT03762122 (Rogaratinib in Patients With Advanced Pretreated Squamous-cell Non-small Cell Lung Cancer (SQCLC)).

CAS Number1443530-05-9
PubChem CID71611869
IUPAC Name4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one
Molecular FormulaC23H26N6O3S
Molecular Weight466.6
XLogP1.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity703
SMILES
CC1=CC2=C(C(=C1)OC)SC(=C2)C3=C4C(=NC=NN4C(=C3COC)CN5CCNC(=O)C5)N
InChI
InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)
InChIKey
HNLRRJSKGXOYNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rogaratinib
CAS: 1443530-05-9
CID: 71611869
Formula: C23H26N6O3S
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass466.17870989
Monoisotopic Mass466.17870989
Topological Polar Surface Area135 Ų
Heavy Atom Count33
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8936-5Rogaratinib
A16963-25Rogaratinib 25mg
A16963-10Rogaratinib 10mg
A16963-5Rogaratinib 5mg
A16963-100Rogaratinib 100mg
A16963-50Rogaratinib 50mg
A16963-2Rogaratinib 2mg
A16963-1Rogaratinib 1mg

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