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TAS-115

CAT: 0926-QXB83634Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-QXB83634Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190836-34-0
Smiles
CNC (=O) C1=CC2=C (C=CN=C2C=C1OC) OC3=C (C=C (C=C3) NC (=S) NC (=O) CC4=CC=CC=C4) F
Molecular Formula
C27H23FN4O4S
Molecular Weight
518.6 g/mol
Controlled
No

Chemical Information

Pamufetinib

Pamufetinib is a small molecule drug. The usage of the INN stem '-tinib' in the name indicates that Pamufetinib is a tyrosine kinase inhibitor. Pamufetinib is under investigation in clinical trial NCT04999761 (AB122 Platform Study). Pamufetinib has a monoisotopic molecular weight of 518.14 Da.

CAS Number1190836-34-0
PubChem CID44247727
IUPAC Name4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
Molecular FormulaC27H23FN4O4S
Molecular Weight518.6
XLogP4.6
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity798
SMILES
CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F
InChI
InChI=1S/C27H23FN4O4S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,29,34)(H2,31,32,33,37)
InChIKey
ORRNXRYWGDUDOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pamufetinib
CAS: 1190836-34-0
CID: 44247727
Formula: C27H23FN4O4S
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass518.14240456
Monoisotopic Mass518.14240456
Topological Polar Surface Area134 Ų
Heavy Atom Count37
Formal Charge0
Complexity798
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

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Alternative Products

CatalogName
MBS3845963-01TAS-115
MBS3845819-01TAS-115 mesylate
C12190-10mM/1mLPamufetinib (TAS-115)
206606TAS-115 free base
A21533-200Pamufetinib (TAS-115) 200mg
A21533-10Pamufetinib (TAS-115) 10mg
A21389-100TAS-115 mesylate 100mg
A21533-5Pamufetinib (TAS-115) 5mg
A21389-50TAS-115 mesylate 50mg
A21389-25TAS-115 mesylate 25mg

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