SKI2852

CAT: 0804-HY-19325-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-19325-01Size:5 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 active 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with IC50s of 1.6 nM and 2.9 nM against mHSD1 and hHSD1, respectively[1].

CAS Number

1346554-47-9

UNSPSC

12352005

Target

11β-HSD

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/ski2852.html

Purity

98.41

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(C1=NC(N2[C@H](C)CN(C3=CC=C(S(=O)(C)=O)C=C3F)CC2)=NC=C1)N[C@@H]4[C@]5([H])C[C@@]6([H])C[C@](C5)(O)C[C@]4([H])C6

Molecular Formula

C27H34FN5O4S

Molecular Weight

543.65

References & Citations

[1]Ryu JH, et al. Discovery 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 (SKI2852) : A Highly Potent, Selective, and Orally Bioavailable Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1) . J Med Chem. 2016 Nov 23;59 (22) :10176-10189.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

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 Number	1346554-47-9
PubChem CID	135905445
IUPAC Name	2-[(2R)-4-(2-fluoro-4-methylsulfonylphenyl)-2-methylpiperazin-1-yl]-N-[(1S,3R)-5-hydroxy-2-adamantyl]pyrimidine-4-carboxamide
Molecular Formula	C27H34FN5O4S
Molecular Weight	543.7
XLogP	2.8
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	38
Formal Charge	0
Complexity	994

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

CAS: 1346554-47-9

CID: 135905445

Formula: C27H34FN5O4S

MW: 543.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	543.7
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	543.23155392
Monoisotopic Mass	543.23155392
Topological Polar Surface Area	124 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	994
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BUP20435-01	SKI2852

SKI2852

Chemical Information

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