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Tinostamustine - 98%, high purity , CAS No.1236199-60-2

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
T414166
Grouped product items
SKU Size
Availability
 Price Qty
T414166-1mg
1mg
6
$53.90
T414166-5mg
5mg
6
$97.90
T414166-10mg
10mg
4
$162.90
T414166-25mg
25mg
4
$271.90
T414166-50mg
50mg
4
$489.90
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HDAC8 Selective Inhibitors

View related series
Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Epigenetics (1496) HDAC (160) Histone Modification (1379)

Basic Description

Synonyms 7-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)-N-hydroxyheptanamide | 1236199-60-2 | 1H-Benzimidazole-2-heptanamide, 5-(bis(2-chloroethyl)amino)-N-hydroxy-1-methyl- | DB15147 | UNII-29DKI2H2NY | 7-{5-[Bis(2-chloroethyl)amino]-1-methyl-1
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms Tinostamustine(EDO-S101) is a first-in-class alkylating deacetylase inhibitor with IC50 values of 9 nM, 9 nM, 25 nM and 107 nM for HDAC1, HDAC2, HDAC3 and HDAC8 (Class 1 HDACs) respectively and 6 nM, 72 nM for HDAC6 and HDAC10 (Class II HDACs).
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Information

Tinostamustine(EDO-S101) is a first-in-classalkylating deacetylaseinhibitor with IC50 values of 9 nM, 9 nM, 25 nM and 107 nM for HDAC1, HDAC2, HDAC3 and HDAC8 (Class 1 HDACs) respectively and 6 nM, 72 nM for HDAC6 and HDAC10 (Class II HDACs).


Targets

HDAC6 (Cell-free assay); HDAC1 (Cell-free assay); HDAC2 (Cell-free assay); HDAC3 (Cell-free assay); HDAC10 (Cell-free assay) 31723,6 nM; 9 nM; 9 nM; 25 nM; 72 nM


In vitro

The IC50s of EDO-S101 range between 5-13 μM in 8 myeloma cell lines. EDO-S101 has significant synergistic cytotoxicity with the proteasome inhibitors bortezomib and carfilzomib across all cell types tested. EDO-S101 induces strong protein and histone acetylation and is a strong inducer of pIRE-1, the key activator protein of the UPR in MM cells.


Cell Research(from reference)

Cell lines：HL-60 cells 

Concentrations：4 μM 

Incubation Time：0, 6, 12, 18, 24h 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Benzimidazoles
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Benzimidazoles
Alternative Parents Nitrogen mustard compounds  Dialkylarylamines  N-substituted imidazoles  Benzenoids  Heteroaromatic compounds  Hydroxamic acids  Amino acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl chlorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Benzimidazole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Tertiary amine - Hydroxamic acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available

Product Properties

ALogP 4.36
HBD Count 1
Rotatable Bond 12

Associated Targets(Human)

NB-4 (999 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Panel NCI-60 (60 carcinoma cell lines) (1088 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Kasumi 1 (420 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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid 488201369
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488201369
IUPAC Name 7-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-N-hydroxyheptanamide
INCHI InChI=1S/C19H28Cl2N4O2/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26)
InChIKey GISXTRIGVCKQBX-UHFFFAOYSA-N
Smiles CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCCCCC(=O)NO
Isomeric SMILES CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCCCCC(=O)NO
PubChem CID 46836227
Molecular Weight 415.36

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

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

Find and download the COA for your product by matching the lot number on the packaging.

20 results found

Lot Number Certificate Type Date Item
F2316317 Certificate of Analysis Mar 04, 2025 T414166
F2316298 Certificate of Analysis Mar 04, 2025 T414166
F2316315 Certificate of Analysis Mar 04, 2025 T414166
F2316314 Certificate of Analysis Mar 04, 2025 T414166
F2316324 Certificate of Analysis Mar 04, 2025 T414166
F2316316 Certificate of Analysis Mar 04, 2025 T414166
F2316326 Certificate of Analysis Mar 04, 2025 T414166
F2316325 Certificate of Analysis Mar 04, 2025 T414166
F2316328 Certificate of Analysis Mar 04, 2025 T414166
A2412680 Certificate of Analysis Nov 14, 2023 T414166
A2412679 Certificate of Analysis Nov 14, 2023 T414166
A2412683 Certificate of Analysis Nov 14, 2023 T414166
A2412685 Certificate of Analysis Nov 14, 2023 T414166
A2412687 Certificate of Analysis Nov 14, 2023 T414166
A2412677 Certificate of Analysis Nov 14, 2023 T414166
A2412678 Certificate of Analysis Nov 14, 2023 T414166
A2412681 Certificate of Analysis Nov 14, 2023 T414166
A2412684 Certificate of Analysis Nov 14, 2023 T414166
A2412686 Certificate of Analysis Nov 14, 2023 T414166
F2316329 Certificate of Analysis May 15, 2023 T414166

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Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 14 mg/mL (33.7 mM); Ethanol: 2 mg/mL (4.81 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility 14
DMSO(mM) Max Solubility 33.7057010785824
Water(mg / mL) Max Solubility ＜1
Molecular Weight 415.400 g/mol
XLogP3 3.600
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 12
Exact Mass 414.159 Da
Monoisotopic Mass 414.159 Da
Topological Polar Surface Area 70.400 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 438.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Solution Calculators

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