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Nanatinostat - 98%, high purity , CAS No.1256448-47-1

COA COA
In stock
Item Number
N651466
Grouped product items
SKU Size
Availability
 Price Qty
N651466-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$113.90
N651466-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$399.90
N651466-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,196.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Epigenetics (1496) HDAC (160) Histone Modification (1379)

Basic Description

Synonyms SB16879 | 1256448-47-1 | DB15419 | Nanatinostat [USAN] | GTPL8391 | BDBM50347385 | 2-[(1R,5S,6S)-6-{[(6-Fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hex-3-yl]-N-hydroxypyrimidine-5-carboxamide | 2-[(1S,5R)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Nanatinostat (CHR-3996) is a potent, class I selective histone deacetylase (HDAC) inhibitor with an IC50 of 8 nM
Storage Temp Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Quinolines and derivatives
Subclass Haloquinolines
Intermediate Tree Nodes Not available
Direct Parent Haloquinolines
Alternative Parents Pyrimidinecarboxamides  2-pyridylmethylamines  Dialkylarylamines  Aminopiperidines  Aminopyrimidines and derivatives  Aralkylamines  Benzenoids  Aryl fluorides  Heteroaromatic compounds  Pyrrolidines  Amino acids and derivatives  Hydroxamic acids  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  Organooxygen compounds  Organic oxides  Organofluorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Haloquinoline - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - 2-pyridylmethylamine - Dialkylarylamine - 4-aminopiperidine - Aralkylamine - Aminopyrimidine - Pyridine - Benzenoid - Pyrimidine - Piperidine - Aryl halide - Aryl fluoride - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Hydroxamic acid - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
External Descriptors Not available

Associated Targets(Human)

HDAC6 Tclin Histone deacetylase 6 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC1 Tclin Histone deacetylase 1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC2 Tclin Histone deacetylase 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC5 Tclin Histone deacetylase 5 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC3 Tclin Histone deacetylase 3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC2 Tclin Histone deacetylase 2 (3971 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HDAC3 Tclin Histone deacetylase 3 (3654 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Caco-2 (12174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
COR-L23 (253 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DU-145 (51482 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LoVo (4724 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MG-63 (795 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MOLT-4 (49676 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U-937 (7138 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A2780 (11979 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HuT78 (515 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver (3974 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac1 Histone deacetylase 1 (93 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac5 Histone deacetylase 5 (5 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HD1 Histone deacetylase (38 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-[(1S,5R)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
INCHI 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?
InChIKey QRGHOAATPOLDPF-BYICEURKSA-N
Smiles C1C2C(C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO
Isomeric SMILES C1[C@@H]2[C@@H](C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO
Alternate CAS 1256448-47-1
PubChem CID 49857317
MeSH Entry Terms 2-(6-(((6-fluoroquinolin-2-yl)methyl)amino)bicyclo(3.1.0)hex-3-yl)-N-hydroxypyrimidine-5-carboxamide;CHR 3996;CHR-3996;CHR3996
Molecular Weight 394.40

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 33.33 mg/mL (84.51 mM; Need ultrasonic)
Molecular Weight 394.400 g/mol
XLogP3 1.000
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 394.155 Da
Monoisotopic Mass 394.155 Da
Topological Polar Surface Area 103.000 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 592.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Alternative Products

  1. no_selection
    Nanatinostat
    • 10mM in DMSO

    Starting at $438.90

Solution Calculators

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