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Selinexor (KPT-330)

CAT: 1568-C12549-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C12549-50mgSize:50 mg
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CAS Number
1393477-72-9
Synonyms
ATG-010
Target
CRM1
Applications
Transmembrane Transporters
Smiles
C1=CN=C (C=N1) NNC (=O) C=CN2C=NC (=N2) C3=CC (=CC (=C3) C (F) (F) F) C (F) (F) F
Molecular Formula
C17H11F6N7O
Additionnal Information
Selinexor (KPT-330, ATG-010) is an orally bioavailable selective CRM1 inhibitor. Phase 2.
Storage Conditions
2 years -80 in solvent

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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Alternative Products

CatalogName
T6106-01Selinexor (KPT-330)
A12582-50Selinexor (KPT-330) 50mg
A12582-100Selinexor (KPT-330) 100mg
A12582-25Selinexor (KPT-330) 25mg
A12582-10Selinexor (KPT-330) 10mg
A12582-5Selinexor (KPT-330) 5mg
A12582-2Selinexor (KPT-330) 2mg
B1464-5.1KPT-330
sc-489062KPT 330
453064-01KPT 330 Hydrochloride

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