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SMIP34

CAT: 0013-GTR19239631-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239631-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SMIP34 is a PELP1 inhibitor with a Kd of 37.4 μM, effective in suppressing cancer cell proliferation and tumor progression. It shows activity against wild-type, mutant, and treatment-resistant ER+ breast cancer cells in vitro, supporting its research use in oncology and drug resistance studies.
CAS Number
1189710-20-0
Field of Research
Cell Biology
Smiles
O=C (NC1=CC=C (C (Cl) =C1) C) C2=NN3C (=C2) C (=O) N (CCCC) C (C (=O) NC4CCCC4) (C) C3
Molecular Formula
C25H32ClN5O3
Molecular Weight
486.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-butyl-N~2~-(3-chloro-4-methylphenyl)-N~6~-cyclopentyl-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CAS Number1189710-20-0
PubChem CID50758757
IUPAC Name5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Molecular FormulaC25H32ClN5O3
Molecular Weight486.0
XLogP4
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity776
SMILES
CCCCN1C(=O)C2=CC(=NN2CC1(C)C(=O)NC3CCCC3)C(=O)NC4=CC(=C(C=C4)C)Cl
InChI
InChI=1S/C25H32ClN5O3/c1-4-5-12-30-23(33)21-14-20(22(32)27-18-11-10-16(2)19(26)13-18)29-31(21)15-25(30,3)24(34)28-17-8-6-7-9-17/h10-11,13-14,17H,4-9,12,15H2,1-3H3,(H,27,32)(H,28,34)
InChIKey
XGNVGVLMXGFQKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-butyl-N~2~-(3-chloro-4-methylphenyl)-N~6~-cyclopentyl-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CAS: 1189710-20-0
CID: 50758757
Formula: C25H32ClN5O3
MW: 486.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.0
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass485.2193676
Monoisotopic Mass485.2193676
Topological Polar Surface Area96.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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