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Lenumlostat

CAT: 0127-BUP12353-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12353-02Size:10 mg
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CAS Number
2098884-52-5
Synonyms
PAT-1251, GB2064
Purity
=98%
Smiles
O(C=1N=C(C(F)(F)F)C=C(CN)C1)C2=CC(C(=O)N3C[C@@H](F)[C@H](O)C3)=CC=C2

Chemical Information

Pat-1251

PAT-1251 is under investigation in clinical trial NCT04054245 (PAT-1251 in Treating Patients With Primary Myelofibrosis, Post-polycythemia Vera Myelofibrosis, or Post-essential Thrombocytosis Myelofibrosis).

CAS Number2098884-52-5
PubChem CID122536283
IUPAC Name[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
Molecular FormulaC18H17F4N3O3
Molecular Weight399.3
XLogP1.5
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity551
SMILES
C1[C@H]([C@@H](CN1C(=O)C2=CC(=CC=C2)OC3=CC(=CC(=N3)C(F)(F)F)CN)F)O
InChI
InChI=1S/C18H17F4N3O3/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22/h1-6,13-14,26H,7-9,23H2/t13-,14-/m1/s1
InChIKey
ODGXXYXJORZPHE-ZIAGYGMSSA-N
Chemical Structure
2D Structure
2D structure of Pat-1251
CAS: 2098884-52-5
CID: 122536283
Formula: C18H17F4N3O3
MW: 399.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.3
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass399.12060406
Monoisotopic Mass399.12060406
Topological Polar Surface Area88.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C03589-100mgLenumlostat
HY-107422ALenumlostat (hydrochloride)
A20252-10Lenumlostat (PAT-1251) 10mg
A20252-5Lenumlostat (PAT-1251) 5mg
A20252-1Lenumlostat (PAT-1251) 1mg
A20252-100Lenumlostat (PAT-1251) 100mg
A20252-200Lenumlostat (PAT-1251) 200mg
A20252-50Lenumlostat (PAT-1251) 50mg
A20252-25Lenumlostat (PAT-1251) 25mg
A20252-10mM-DLenumlostat (PAT-1251) 10mM * 1mL in DMSO

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