Rugocrixan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H25N5OS2
Molecular Weight	403.565
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](CO)NC1=C2SC(N)=NC2=NC(S[C@@H](C)C3=CC=CC=C3)=N1

InChI

InChIKey=ZMQSLMZOWVGBSM-GXTWGEPZSA-N

InChI=1S/C19H25N5OS2/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t12-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H25N5OS2
Molecular Weight	403.565
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23516963
Curator's Comment: description was created based on several sources, including: https://www.ncbi.nlm.nih.gov/pubmed/24706865 | https://www.ncbi.nlm.nih.gov/pubmed/26656484 | http://www.kancera.com/en/Press/Press-releases/Press-release/?releaseid=1046815

CX3CR1 antagonist 18a (AZD8797) is the first potent selective and orally available CX3CR1 allosteric antagonist. AZD8797 is able to non-competitively displace and block CX3CL1 from binding CX3CR1 through an allosteric binding mechanism of action. AZD8797 effects G-protein signaling and β-arrestin recruitment in a biased way. Starting treatment with AZD8797 either before or after onset of disease reduced the clinical symptoms and pathological signs of experimental autoimmune encephalomyelitis (EAE) (the model of multiple sclerosis) in a concentration-dependent manner. CX3CR1 (Fractalkine) signaling probably contributes to the growth and spread of tumors and the pain that often affects cancer patients. Kancera will now evaluate how efficiently the Fractalkine inhibitor AZD8797 may stop tumor growth and relieve severe pain.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
C-X3-C chemokine receptor 1 2 Target ID: CHEMBL4843 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23516963	Antagonist 2849	3.9 nM [Ki]
Interleukin-8 receptor B 10 Target ID: CHEMBL2434 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23516963	Antagonist 2849	2.8 µM [Ki]
Adenosine A1 receptor 54 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23516963	Antagonist 2849	132.0 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Multiple sclerosis 107 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24706865 https://www.ncbi.nlm.nih.gov/pubmed/23516963	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
AZD8797 is an allosteric non-competitive modulator of the human CX3CR1 receptor.	2016-03-01	26656484
Substituted 7-amino-5-thio-thiazolo[4,5-d]pyrimidines as potent and selective antagonists of the fractalkine receptor (CX3CR1).	2013-04-25	23516963

Patents

Sample Use Guides

In Vivo Use Guide

2 × 14 days (78 uM/kg per day)

Route of Administration: Other

In Vitro Use Guide

Mimicking physiological flow, it was monitored the adhesion of RPMI-8226 cells, a human B-lymphocyte cell line endogenously expressing human CX3CR1 and hWB leucocytes to human full-length CX3CL1. AZD8797 prevented the capture of RPMI-8226 cells with an IC50 of 5.8 nM (4.1–8.2 nM, 95% CL, n = 3) and human blood leucocytes with an IC50 of 330 nM (280–380 nM, 95% CL, n = 2).

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:17:59 GMT 2025` Edited by `admin` on `Wed Apr 02 19:17:59 GMT 2025`
Record UNII	S9Y83SS7PQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AZD8797

Preferred Name

English

Rugocrixan

Official Name

English

Fractalkine Receptor Antagonist KAND567

Common Name

English

KAND567

Common Name

English

KAND-567

Common Name

English

(2R)-2-[[2-Amino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methyl-1-pentanol

Systematic Name

English

AZD-8797

Code

English

rugocrixan [INN]

Common Name

English

Code System Code Type Description

SMS_ID

300000048092