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Selinexor

CAT: 0013-GTR19171738-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171738-01Size:5 mg
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Description
Selinexor (KPT-330) is an orally bioavailable, selective inhibitor of Exportin 1 (XPO1/CRM1) . It induces cell cycle arrest and apoptosis, demonstrating antitumor activity in preclinical models of multiple myeloma, including both in vitro cell studies and in vivo xenograft experiments.
CAS Number
1393477-72-9
Product Name Alternative
KPT-330
Field of Research
Neuroscience
Purity
>98%
Bioactivity
Inhibitor of the nuclear export receptor CRM1/XPO1
Form
Powder
Solubility
Soluble in DMSO (up to at least 25 mg/ml) or in Ethanol (up to at least 25 mg/ml)
Smiles
FC (F) (F) c1cc (cc (c1) C (F) (F) F) -c1ncn (\C=C/C (=O) NNc2cnccn2) n1
Molecular Formula
C17H11F6N7O
Molecular Weight
443.3
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
(Z) -3-[3-[3,5-Bis (trifluoromethyl) phenyl]-1,2,4-triazol-1-yl]-N’-pyrazin-2-ylprop-2-enehydrazide

Chemical Information

Selinexor

Selinexor is a member of the class of triazoles that is 1H-1,2,4-triazole substituted by (1Z)-3-oxo-3-[2-(pyrazin-2-yl)hydrazinyl]prop-1-en-1-yl and 3,5-bis(trifluoromethyl)phenyl groups at positions 1 and 3, respectively. It is a prescription medicine approved for the treatment of adult patients with relapsed or refractory diffuse large B-cell lymphoma. It has a role as an exportin 1 inhibitor, an antineoplastic agent, an anti-inflammatory agent and an apoptosis inducer. It is a hydrazide, a member of triazoles, a member of pyrazines, an enamide and a member of (trifluoromethyl)benzenes.

CAS Number1393477-72-9
PubChem CID71481097
IUPAC Name(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide
Molecular FormulaC17H11F6N7O
Molecular Weight443.3
XLogP3
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity621
SMILES
C1=CN=C(C=N1)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-
InChIKey
DEVSOMFAQLZNKR-RJRFIUFISA-N
Chemical Structure
2D Structure
2D structure of Selinexor
CAS: 1393477-72-9
CID: 71481097
Formula: C17H11F6N7O
MW: 443.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass443.09292697
Monoisotopic Mass443.09292697
Topological Polar Surface Area97.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity621
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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