MRS-1706

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H29N5O5
Molecular Weight	503.5497
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZKUCFFYOQOJLGT-UHFFFAOYSA-N

InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C27H29N5O5
Molecular Weight	503.5497
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	Condition	Potency
Adenosine A2b receptor 22 Target ID: CHEMBL255 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10737749	Antagonist 2778		1.39 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:11:50 UTC 2023` Edited by `admin` on `Sat Dec 16 18:11:50 UTC 2023`
Record UNII	YEE5LME5K5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MRS-1706

Code

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

YEE5LME5K5