Products for Research Use Only
RegisterLogin

SP100030 analogue 1

CAT: 0931-T89990-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T89990-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
154934-68-6
Target
CRM1
Related Pathways
Membrane transporter/Ion channel
Bioactivity
SP100030 analogue 1 (compound 11) is a selective transcription activation (SITA) inhibitor within the SP100030 class, capable of inhibiting XPO1-dependent upregulation of IL2 in a Jurkat-based IL2-Luc reporter assay, with an EC50 of 137 nM.
Smiles
O=C(NC1=CC(F)=CC(=C1)C(F)(F)F)C2=CN=C(Cl)N=C2C(F)(F)F
Molecular Formula
C13H5ClF7N3O
Molecular Weight
387.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SP100030 analogue 1
CAS Number154934-68-6
PubChem CID172638401
IUPAC Name2-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
Molecular FormulaC13H5ClF7N3O
Molecular Weight387.64
XLogP3.9
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity487
SMILES
C1=C(C=C(C=C1NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl)F)C(F)(F)F
InChI
InChI=1S/C13H5ClF7N3O/c14-11-22-4-8(9(24-11)13(19,20)21)10(25)23-7-2-5(12(16,17)18)1-6(15)3-7/h1-4H,(H,23,25)
InChIKey
UAESMOLVKWXOPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SP100030 analogue 1
CAS: 154934-68-6
CID: 172638401
Formula: C13H5ClF7N3O
MW: 387.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.64
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass387.0009366
Monoisotopic Mass387.0009366
Topological Polar Surface Area54.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T87875-01Exatecan analogue 1
T12444-01Phentolamine Analogue 1
T74641Rezivertinib analogue 1
T81993-01Kadsurin A analogue-1
T68855-01Hymenialdisine Analogue #1
T201539-01Defactinib analogue-1
TNU0045-01β-D-Ribofuranose analogue 1
T2377-01Pilaralisib analogue
T89983-01Napabucasin analogue
T200418-01Filgotinib analogue

Alternative Products

CatalogName
HY-163902SP100030 analogue 1
ENZ-CHM447-0025SP100030
HY-159573Napabucasin analogue
MBS3607651-01INCB024360 analogue
GTR19174971-01Pilaralisib analogue
AR-I01522-01Indomethacin Analogue
C16125-100mgXL147 analogue
S7127-25mgTIC10 Analogue
S7137-01GLPG0634 analogue
sc-337855Gleevec analogue

Popular Products