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AZD4017 , 11-beta-hydroxysteroid dehydrogenase 1 inhibitor, CAS No.1024033-43-9, 11-beta-hydroxysteroid dehydrogenase 1 inhibitor

Moligand™

CAS#: 1024033-43-9
Formula: C₂₂H₃₃N₃O₃S
Molecular Weight: 419.6
PubChem CID: 24946280

Item Number

A607866

Grouped product items
SKU	Size	Availability	Price	Qty
A607866-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
A607866-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

View related series

hydroxysteroid 11-beta dehydrogenase 1 Inhibitor

Basic Description

Synonyms	1024033-43-9\|AZD 4017\|AZD-4017\|AZD4017\|{(3s)-1-[5-(Cyclohexylcarbamoyl)-6-(Propylsulfanyl)pyridin-2-Yl]piperidin-3-Yl}acetic Acid\|UNII-3JL137394Y\|3JL137394Y\|2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid\|CHEMBL215
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	11-beta-hydroxysteroid dehydrogenase 1 inhibitor

Associated Targets

CYP1A2 Tchem Cytochrome P450 1A2 0 Activities

Discover Target: CYP1A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 0 Activities

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C19 Tchem Cytochrome P450 2C19 0 Activities

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP3A4 Tclin Cytochrome P450 3A4 0 Activities

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NR3C1 Tclin Glucocorticoid receptor 0 Activities

Discover Target: NR3C1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSD17B3 Tchem Testosterone 17-beta-dehydrogenase 3 0 Activities

Discover Target: HSD17B3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 0 Activities

Discover Target: HSD17B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSD11B2 Tchem Corticosteroid 11-beta-dehydrogenase isozyme 2 0 Activities

Discover Target: HSD11B2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 8 Activities

Discover Target: HSD11B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C9 Tchem Cytochrome P450 2C9 0 Activities

Discover Target: CYP2C9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CCKBR Tclin Gastrin/cholecystokinin type B receptor 0 Activities

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NR3C2 Tclin Mineralocorticoid receptor 0 Activities

Discover Target: NR3C2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AGTR2 Tchem Type-2 angiotensin II receptor 0 Activities

Discover Target: AGTR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 0 Activities

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid
INCHI	InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1
InChi Key	NCDZABJPWMBMIQ-INIZCTEOSA-N
Canonical SMILES	CCCSC1=C(C=CC(=N1)N2CCCC(C2)CC(=O)O)C(=O)NC3CCCCC3
Isomeric SMILES	CCCSC1=C(C=CC(=N1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3
PubChem CID	24946280
Molecular Weight	419.6

ChEMBL Ligand

PubChem CID

CAS Registry No.

RCSB PDB Ligand

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H302:Harmful if swallowed
Precautionary Statements	P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help.

References

1. Stimson RH, Walker BR. (2007) Glucocorticoids and 11beta-hydroxysteroid dehydrogenase type 1 in obesity and the metabolic syndrome.. Minerva Endocrinol, 32 (3): (141-59). [PMID:17912154]
2. Walker BR. (2007) Glucocorticoids and cardiovascular disease.. Eur J Endocrinol, 157 (5): (545-59). [PMID:17984234]
3. Eckel RH, Grundy SM, Zimmet PZ. (2005) The metabolic syndrome.. Lancet, 365 (9468): (1415-28). [PMID:15836891]
4. Scott JS, Bowker SS, Deschoolmeester J, Gerhardt S, Hargreaves D, Kilgour E, Lloyd A, Mayers RM, McCoull W, Newcombe NJ et al.. (2012) Discovery of a potent, selective, and orally bioavailable acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017).. J Med Chem, 55 (12): (5951-64). [PMID:22691057]

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