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(E) -Selinexor

CAT: 0804-HY-17536A-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17536A-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E) -Selinexor ((E) -KPT-330) is the E-isomer of Selinexor. Selinexor is the selective, orally active CRM1 inhibitor[1].
CAS Number
1421923-86-5
Product Name Alternative
(E) -KPT-330
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
CRM1
Related Pathways
Membrane Transporter/Ion Channel
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=C(NNC1=NC=CN=C1)/C=C/N2N=C(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)N=C2
Molecular Formula
C17H11F6N7O
Molecular Weight
443.31
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Rashal T, et al., Methods of promoting wound healing using crm1 inhibitors. WO2014144772.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Kpt-330, (E)-
CAS Number1421923-86-5
PubChem CID71493320
IUPAC Name(E)-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-DAFODLJHSA-N
Chemical Structure
2D Structure
2D structure of Kpt-330, (E)-
CAS: 1421923-86-5
CID: 71493320
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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