NANATINOSTAT

Investigational

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

ONC(=O)C1=CN=C(N=C1)N2C[C@H]3[C@@H](C2)[C@@H]3NCC4=NC5=CC=C(F)C=C5C=C4

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
A phase I pharmacokinetic and pharmacodynamic study of CHR-3996, an oral class I selective histone deacetylase inhibitor in refractory solid tumors.	2012-05-01	22553374
Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.	2011-07-14	21650221
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.	2010-12-23	21080647

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:25:16 GMT 2025` Edited by `admin` on `Tue Apr 01 21:25:16 GMT 2025`
Record UNII	YTL7A418KQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

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

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