NANATINOSTAT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H19FN6O2
Molecular Weight	394.4023
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0
Stereo Comments	meso

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CN(C[C@]1([H])[C@H]2NCC3=NC4=C(C=C3)C=C(F)C=C4)C5=NC=C(C=N5)C(=O)NO

InChI

InChIKey=QRGHOAATPOLDPF-VQFNDLOPSA-N

InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+

HIDE SMILES / InChI

Molecular Formula	C20H19FN6O2
Molecular Weight	394.4023
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Discovery of 2-(6-{[(6-fluoroquinolin-2-yl)methyl]amino}bicyclo[3.1.0]hex-3-yl)-N-hydroxypyrimidine-5-carboxamide (CHR-3996), a class I selective orally active histone deacetylase inhibitor.	2010 Dec 23	21080647
Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.	2011 Jul 14	21650221
A phase I pharmacokinetic and pharmacodynamic study of CHR-3996, an oral class I selective histone deacetylase inhibitor in refractory solid tumors.	2012 May 1	22553374

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:48:41 GMT 2023` Edited by `admin` on `Sat Dec 16 13:48:41 GMT 2023`
Record UNII	YTL7A418KQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NANATINOSTAT

Official Name

English

nanatinostat [INN]

Common Name

English

NANATINOSTAT [USAN]

Common Name

English

HDAC INHIBITOR CHR-3996

Common Name

English

Nanatinostat [WHO-DD]

Common Name

English

2-((1.ALPHA.,5.ALPHA.,6.ALPHA.)-6-(((6-FLUORO-2-QUINOLINYL)METHYL)AMINO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-N-HYDROXY-5-PYRIMIDINECARBOXAMIDE

Systematic Name

English

2-[(1R,5S,6S)-6-{[(6-Fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hex-3-yl]-N-hydroxypyrimidine-5-carboxamide

Systematic Name

English

VRX-3996

Code

English

CHR-3996

Code

English

5-PYRIMIDINECARBOXAMIDE, 2-((1.ALPHA.,5.ALPHA.,6.ALPHA.)-6-(((6-FLUORO-2-QUINOLINYL)METHYL)AMINO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-N-HYDROXY-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

676118