PT-2385

CAT: 0127-BUP12544-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12544-02Size:10 mg

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CAS Number

1672665-49-4

Purity

=98%

Smiles

CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12

Chemical Information

PT-2385

PT-2385 is a selective HIF-2a inhibitor with a Ki of less than 50 nM.

CAS Number	1672665-49-4
PubChem CID	91754484
IUPAC Name	3-[[(1S)-2,2-difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
Molecular Formula	C17H12F3NO4S
Molecular Weight	383.3
XLogP	2.4
Topological Polar Surface Area	95.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	686

SMILES

CS(=O)(=O)C1=C2[C@@H](C(CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)(F)F)O

InChI

InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1

InChIKey

ONBSHRSJOPSEGS-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 1672665-49-4

CID: 91754484

Formula: C17H12F3NO4S

MW: 383.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.3
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	383.04391352
Monoisotopic Mass	383.04391352
Topological Polar Surface Area	95.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	686
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1073957-01	PT-262
IN11775-01	PT-ttpy
BUP12537-01	PT-179
BUP06794-01	PT-1
IN2876-01	Platinum (IV) chloride, 58% Pt
IN12402	Calcium carbonate,99.8%, PT-13c
IN12433-01	Pt (II) meso-Tetra (pentafluorophenyl) porphine
IN13024-01	PT (II) meso-Tetra (4-carboxyphenyl) porphine