MRS-1754

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H26N6O4
Molecular Weight	486.5224
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCN1C2=C(N=C(N2)C3=CC=C(OCC(=O)NC4=CC=C(C=C4)C#N)C=C3)C(=O)N(CCC)C1=O

InChI

InChIKey=AJBBEYXFRYFVNM-UHFFFAOYSA-N

InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C26H26N6O4
Molecular Weight	486.5224
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Adenosine A2b receptor 22 Target ID: CHEMBL255 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10737749	Antagonist 2849	1.97 nM [Ki]
Adenosine A1 receptor 54 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10737749	Antagonist 2849	403.0 nM [Ki]
Adenosine A2a receptor 31 Target ID: CHEMBL251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10737749	Antagonist 2849	503.0 nM [Ki]
Adenosine A3 receptor 24 Target ID: CHEMBL256 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10737749	Antagonist 2849	570.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:58:49 GMT 2025` Edited by `admin` on `Mon Mar 31 21:58:49 GMT 2025`
Record UNII	7E435V2DAH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MRS1754

Preferred Name

English

MRS-1754

Code

English

N-(4-CYANOPHENYL)-2-(4-(2,6-DIOXO-1,3-DIPROPYL-2,3,6,9-TETRAHYDRO-1H-PURIN-8-YL)PHENOXY)ACETAMIDE

Systematic Name

English

ACETAMIDE, N-(4-CYANOPHENYL)-2-(4-(2,3,6,9-TETRAHYDRO-2,6-DIOXO-1,3-DIPROPYL-1H-PURIN-8-YL)PHENOXY)-

Systematic Name

English

ACETAMIDE, N-(4-CYANOPHENYL)-2-(4-(2,3,6,7-TETRAHYDRO-2,6-DIOXO-1,3-DIPROPYL-1H-PURIN-8-YL)PHENOXY)-

Systematic Name

English

Code System Code Type Description

FDA UNII

7E435V2DAH

Created by admin on Mon Mar 31 21:58:49 GMT 2025 , Edited by admin on Mon Mar 31 21:58:49 GMT 2025

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EPA CompTox

DTXSID80424967

Created by admin on Mon Mar 31 21:58:49 GMT 2025 , Edited by admin on Mon Mar 31 21:58:49 GMT 2025

PRIMARY

CAS

264622-58-4

Created by admin on Mon Mar 31 21:58:49 GMT 2025 , Edited by admin on Mon Mar 31 21:58:49 GMT 2025

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PUBCHEM

6603931

Created by admin on Mon Mar 31 21:58:49 GMT 2025 , Edited by admin on Mon Mar 31 21:58:49 GMT 2025

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Related Record Type Details


					7E435V2DAH

MRS-1754

ACTIVE MOIETY