HSD-016

CAT: 0804-HY-122028-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-122028-02Size:10 mM - 1 mL

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Description

HSD-016 is a potent, selective and orally active 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with IC50 values of 11, 1 and 8 nM against human, mouse and rat 11β-HSD1, respectively. HSD-016 can be used for type 2 diabetes research[1].

CAS Number

946396-92-5

UNSPSC

12352005

Target

11β-HSD

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/hsd-016.html

Purity

99.95

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

FC(C1=C(C=CC(F)=C1)N2C[C@@H](C)N(CC2)S(=O)(C3=CC([C@@](O)(C(F)(F)F)C)=CC=C3)=O)(F)F

Molecular Formula

C21H21F7N2O3S

Molecular Weight

514.46

References & Citations

[1]Wan ZK, et al. Synthesis of potent and orally efficacious 11β-hydroxysteroid dehydrogenase type 1 inhibitor HSD-016. J Org Chem. 2011 Sep 2;76 (17) :7048-55.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 1

Chemical Information

(R)-1,1,1-trifluoro-2-(3-((R)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazin-1-ylsulfonyl)phenyl)propan-2-ol

Hsd 016 is under investigation in clinical trial NCT00838461 (Study Evaluating the Safety, Pharmacokinetics (PK), and Pharmacodynamices (PD) of HSD-016).

CAS Number	946396-92-5
PubChem CID	16721125
IUPAC Name	(2R)-1,1,1-trifluoro-2-[3-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylphenyl]propan-2-ol
Molecular Formula	C21H21F7N2O3S
Molecular Weight	514.5
XLogP	4.5
Topological Polar Surface Area	69.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Heavy Atom Count	34
Formal Charge	0
Complexity	817

SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)[C@](C)(C(F)(F)F)O)C3=C(C=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C21H21F7N2O3S/c1-13-12-29(18-7-6-15(22)11-17(18)20(23,24)25)8-9-30(13)34(32,33)16-5-3-4-14(10-16)19(2,31)21(26,27)28/h3-7,10-11,13,31H,8-9,12H2,1-2H3/t13-,19-/m1/s1

InChIKey

ZWASRJHIEFYJGL-BFUOFWGJSA-N

Chemical Structure

2D Structure

CAS: 946396-92-5

CID: 16721125

Formula: C21H21F7N2O3S

MW: 514.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	514.5
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	514.11611084
Monoisotopic Mass	514.11611084
Topological Polar Surface Area	69.2 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	817
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-113662	CLB-016
HY-12810-01	EHop-016
HY-100370-01	MRK-016
HY-103394-01	TC HSD 21
HY-100550-01	MSDC 0160
HY-115620-01	AQX-016A
HY-101641	NRA-0160
HY-162026-01	11β-HSD1-IN-14
HY-145433-01	17β-HSD1-IN-1
HY-W324243	11β-HSD1-IN-9

Alternative Products

Catalog	Name
T63569-01	HSD-016
448102-01	EHop-016
3817/50	MRK 016
BUP21075-01	MRK-016

HSD-016

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