Products for Research Use Only

SKI2852

CAT: 0013-GTR19196478-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196478-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SKI2852 is a potent, selective, and orally bioavailable inhibitor of 11β-HSD1. It has demonstrated efficacy in ameliorating metabolic syndrome parameters in diabetic rodent models, supporting its use in research on type 2 diabetes, obesity, and glucocorticoid metabolism.
CAS Number
1346554-47-9
Product Name Alternative
SKI 2852, SKI2852, SKI-2852, SK I 2852, SK I2852, SK I-2852
Field of Research
Metabolism Research
Purity
99.89% (May vary between batches)
Smiles
N (C (=O) C1=NC (=NC=C1) N2[C@H] (C) CN (CC2) C3=C (F) C=C (S (C) (=O) =O) C=C3) [C@@H]4[C@]5 (CC6 (O) C[C@@]4 (CC (C5) C6) [H]) [H]
Molecular Formula
C27H34FN5O4S
Molecular Weight
543.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((R)-4-(2-Fluoro-4-(methylsulfonyl)phenyl)-2-methylpiperazin-1-yl)-N-((1R,2s,3S,5S,7S)-5-hydroxyadamantan-2-yl)pyrimidine-4-carboxamide
CAS Number1346554-47-9
PubChem CID135905445
IUPAC Name2-[(2R)-4-(2-fluoro-4-methylsulfonylphenyl)-2-methylpiperazin-1-yl]-N-[(1S,3R)-5-hydroxy-2-adamantyl]pyrimidine-4-carboxamide
Molecular FormulaC27H34FN5O4S
Molecular Weight543.7
XLogP2.8
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity994
SMILES
C[C@@H]1CN(CCN1C2=NC=CC(=N2)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O)C6=C(C=C(C=C6)S(=O)(=O)C)F
InChI
InChI=1S/C27H34FN5O4S/c1-16-15-32(23-4-3-20(11-21(23)28)38(2,36)37)7-8-33(16)26-29-6-5-22(30-26)25(34)31-24-18-9-17-10-19(24)14-27(35,12-17)13-18/h3-6,11,16-19,24,35H,7-10,12-15H2,1-2H3,(H,31,34)/t16-,17?,18-,19+,24?,27?/m1/s1
InChIKey
SSKKTEYBWOVEET-GMILZOMTSA-N
Chemical Structure
2D Structure
2D structure of 2-((R)-4-(2-Fluoro-4-(methylsulfonyl)phenyl)-2-methylpiperazin-1-yl)-N-((1R,2s,3S,5S,7S)-5-hydroxyadamantan-2-yl)pyrimidine-4-carboxamide
CAS: 1346554-47-9
CID: 135905445
Formula: C27H34FN5O4S
MW: 543.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight543.7
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass543.23155392
Monoisotopic Mass543.23155392
Topological Polar Surface Area124 Ų
Heavy Atom Count38
Formal Charge0
Complexity994
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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