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SX-682

CAT: 0926-YQC84304-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-YQC84304-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1648843-04-2
MDL Number
MFCD28502254
Smiles
B (C1=C (C=C (C=C1) OC (F) (F) F) CSC2=NC=C (C=N2) C (=O) NC3=CC=C (C=C3) F) (O) O
Molecular Formula
C19H14BF4N3O4S
Molecular Weight
467.2 g/mol
Controlled
No

Chemical Information

(2-((5-((4-Fluorophenyl)carbamoyl)pyrimidin-2-yl)sulfanylmethyl)-4-(trifluoromethoxy)phenyl)boronic acid

SX-682 is under investigation in clinical trial NCT04574583 (Phase I/II Trial Investigating the Safety, Tolerability, Pharmacokinetics, Immune and Clinical Activity of SX-682 in Combination With Bintrafusp Alfa (M7824 or Tgf-beta "Trap"/pd-l1) With CV301 TRICOM in Advanced Solid Tumors (STAT)).

CAS Number1648843-04-2
PubChem CID90467234
IUPAC Name[2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid
Molecular FormulaC19H14BF4N3O4S
Molecular Weight467.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity606
SMILES
B(C1=C(C=C(C=C1)OC(F)(F)F)CSC2=NC=C(C=N2)C(=O)NC3=CC=C(C=C3)F)(O)O
InChI
InChI=1S/C19H14BF4N3O4S/c21-13-1-3-14(4-2-13)27-17(28)12-8-25-18(26-9-12)32-10-11-7-15(31-19(22,23)24)5-6-16(11)20(29)30/h1-9,29-30H,10H2,(H,27,28)
InChIKey
SDUDZBCEHIZMFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-((5-((4-Fluorophenyl)carbamoyl)pyrimidin-2-yl)sulfanylmethyl)-4-(trifluoromethoxy)phenyl)boronic acid
CAS: 1648843-04-2
CID: 90467234
Formula: C19H14BF4N3O4S
MW: 467.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass467.0734199
Monoisotopic Mass467.0734199
Topological Polar Surface Area130 Ų
Heavy Atom Count32
Formal Charge0
Complexity606
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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