R-112

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H13FN4O2
Molecular Weight	312.2984
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of R-112

Structure Search

SMILES

OC1=CC(NC2=NC=C(F)C(NC3=CC=CC(O)=C3)=N2)=CC=C1

InChI

InChIKey=TVKGTSHBQZEFEE-UHFFFAOYSA-N

InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)

HIDE SMILES / InChI

Molecular Formula	C16H13FN4O2
Molecular Weight	312.2984
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Tyrosine-protein kinase SYK 21 Target ID: CHEMBL2599 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16950297	Inhibitor 8297		226.0 nM [IC50]
Leukotriene C4 production 2 Target ID: Leukotriene C4 production Sources: https://www.ncbi.nlm.nih.gov/pubmed/16950297	Blocker 537
mast cell activation 6 Target ID: GO:0045576 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16950297	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:14:23 UTC 2023` Edited by `admin` on `Sat Dec 16 11:14:23 UTC 2023`
Record UNII	Y7W5AL9KHB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

R-112

Code

English

PHENOL, 3,3'-((5-FLUORO-2,4-PYRIMIDINEDIYL)DIIMINO)BIS-

Systematic Name

English

3-((5-FLUORO-2-(3-HYDROXYANILINO)PYRIMIDIN-4-YL)AMINO)PHENOL

Systematic Name

English

R-921218

Code

English

R112

Code

English

3,3'-((5-FLUORO-2,4-PYRIMIDINEDIYL)DIIMINO)BIS(PHENOL)

Systematic Name

English

Code System Code Type Description

FDA UNII

Y7W5AL9KHB

Created by admin on Sat Dec 16 11:14:23 UTC 2023 , Edited by admin on Sat Dec 16 11:14:23 UTC 2023

PRIMARY

PUBCHEM

9904854

Created by admin on Sat Dec 16 11:14:23 UTC 2023 , Edited by admin on Sat Dec 16 11:14:23 UTC 2023

PRIMARY

CLINICAL_TRIALS.GOV

R-921218

Created by admin on Sat Dec 16 11:14:23 UTC 2023 , Edited by admin on Sat Dec 16 11:14:23 UTC 2023

PRIMARY

This is a study of the effectiveness and safety of a new nasal spray for the relief of the symptoms of seasonal allergies. The agents being compared are: R926112 (a novel anti-allergy medicine), Beconase (beclomethasone dipropionate, an established FDA approved steroid treatment), and an inactive placebo. The study hypothesis is that R926112 will be superior to placebo at the end of a week of testing and evaluation. The study does not have the power to determine how R926112 compares to Beconase.

ChEMBL

CHEMBL3545399

Created by admin on Sat Dec 16 11:14:23 UTC 2023 , Edited by admin on Sat Dec 16 11:14:23 UTC 2023

PRIMARY

CAS

575474-82-7

Created by admin on Sat Dec 16 11:14:23 UTC 2023 , Edited by admin on Sat Dec 16 11:14:23 UTC 2023

PRIMARY

Related Record Type Details


					JS20X60RRY

TYROSINE-PROTEIN KINASE SYK

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					Y7W5AL9KHB

R-112

ACTIVE MOIETY

Comments:

Indication: Atherosclerosis; Focus: Adverse reactions; Sponsors: CSL, CSL Behring; Most Recent Events: 20 Nov 2013 Results assessing potential antiplatelet effects of CSL 112 presented at the 86th Annual Scientific Sessions of the American Heart Association, 19 Nov 2013 Biomarker results presented at the 86th Annual Scientific Sessions of the American Heart Association, 19 Nov 2013 Results presented at the 86th Annual Scientific Sessions of the American Heart Association

Amount: