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AZD7594 - 98%, high purity , Glucocorticoid receptor modulator, CAS No.1196509-60-0, Glucocorticoid receptor modulator

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1196509-60-0
Molecular Weight: 606.62
PubChem CID: 67041274

In stock

Item Number

A412393

Grouped product items
SKU	Size	Availability	Price
A412393-1mg	1mg	2	$45.90
A412393-5mg	5mg	2	$123.90
A412393-10mg	10mg	2	$172.90
A412393-25mg	25mg	2	$366.90
A412393-50mg	50mg	2	$623.90
A412393-100mg	100mg	2	$947.90

View related series

Glucocorticoid Receptor (103) Glucocorticoid receptor Agonist (39) Immunology/Inflammation (1929) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	GTPL9325 \| 3-{5-[(1R,2S)-2-(2,2-difluoropropanamido)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]-1H-indazol-1-yl}-N-[(3R)-oxolan-3-yl]benzamide \| Velsecorat \| 1196509-60-0 \| SCHEMBL1456757 \| BS-14536 \| AKOS037648545 \| US8916600, 6 \| BDBM141372 \| compound
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	AZD7594 (AZ13189620) is a potent selective nonsteroidal glucocorticoid receptor modulator with IC50 of 0.9 nM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	AGONIST, MODULATOR
Mechanism of action	Glucocorticoid receptor modulator
Product Description	Information AZD7594 (AZ13189620) is a potent selective nonsteroidal glucocorticoid receptor modulator with IC50 of 0.9 nM.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Benzo-1,4-dioxanes Benzamides Indazoles Phenol ethers Benzoyl derivatives Alkyl aryl ethers Para dioxins Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpyrazole - Benzo-1,4-dioxane - Benzodioxane - Benzamide - Benzoic acid or derivatives - Benzopyrazole - Indazole - Phenol ether - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Heteroaromatic compound - Oxolane - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organofluoride - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	4.6

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (5 Activities)

Discover Target: NR3C1

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

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR3C2 Tclin Mineralocorticoid receptor (2134 Activities)

Discover Target: NR3C2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lung (9 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide
INCHI	InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
InChIKey	ZZWJKLGCDHYVMB-BWGXUDETSA-N
Smiles	CC(C(C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)NC6CCOC6)NC(=O)C(C)(F)F
Isomeric SMILES	C[C@@H]([C@@H](C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)N[C@@H]6CCOC6)NC(=O)C(C)(F)F
Molecular Weight	606.62
Reaxy-Rn	26295791
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26295791&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
L2312399	Certificate of Analysis	Nov 24, 2023	A412393
L2312401	Certificate of Analysis	Nov 24, 2023	A412393
L2312402	Certificate of Analysis	Nov 24, 2023	A412393
L2312404	Certificate of Analysis	Nov 24, 2023	A412393
L2312408	Certificate of Analysis	Nov 24, 2023	A412393
L2312411	Certificate of Analysis	Nov 24, 2023	A412393
L2312412	Certificate of Analysis	Nov 24, 2023	A412393
L2312413	Certificate of Analysis	Nov 24, 2023	A412393
L2312257	Certificate of Analysis	Nov 24, 2023	A412393
L2312398	Certificate of Analysis	Nov 24, 2023	A412393
L2312406	Certificate of Analysis	Nov 24, 2023	A412393
L2312407	Certificate of Analysis	Nov 24, 2023	A412393

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Chemical and Physical Properties

Molecular Weight	606.600 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	606.229 Da
Monoisotopic Mass	606.229 Da
Topological Polar Surface Area	113.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1010.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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