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STX-478

CAT: 0127-BUP05607-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05607-04Size:50 mg
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CAS Number
2883540-92-7
Purity
=98%
Smiles
[C@H](NC(NC=1C=NC(N)=NC1)=O)(C(F)(F)F)C2=C(C)C=3C(O2)=C(F)C=C(F)C3

Chemical Information

Tersolisib

STX-478 is under investigation in clinical trail NCT05768139 (First-in-Human Study of STX-478 as Monotherapy and in Combination With Other Antineoplastic Agents in Participants With Advanced Solid Tumors).

CAS Number2883540-92-7
PubChem CID166532451
IUPAC Name1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
Molecular FormulaC16H12F5N5O2
Molecular Weight401.29
XLogP2.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity560
SMILES
CC1=C(OC2=C1C=C(C=C2F)F)[C@H](C(F)(F)F)NC(=O)NC3=CN=C(N=C3)N
InChI
InChI=1S/C16H12F5N5O2/c1-6-9-2-7(17)3-10(18)12(9)28-11(6)13(16(19,20)21)26-15(27)25-8-4-23-14(22)24-5-8/h2-5,13H,1H3,(H2,22,23,24)(H2,25,26,27)/t13-/m1/s1
InChIKey
LGPNQALKGDDVBD-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Tersolisib
CAS: 2883540-92-7
CID: 166532451
Formula: C16H12F5N5O2
MW: 401.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.29
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass401.09111545
Monoisotopic Mass401.09111545
Topological Polar Surface Area106 Ų
Heavy Atom Count28
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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