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Screening compounds

Tinostamustine

Also known as EDO-S 101, 7-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)-N-hydroxyheptanamide, Tinostamustina

CAS 1236199-60-2Formula C19H28Cl2N4O2Molar mass 415.37 g/molEC 985-846-7
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 1 supplier listed
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Tinostamustine chemical structure, C19H28Cl2N4O2, CAS 1236199-60-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1236199-60-2
Formula
C19H28Cl2N4O2
Molar mass
415.37 g/mol
EC number
985-846-7
HS code
293399
Category
Screening compounds

What is Tinostamustine?

Plain description, key identifiers and synonyms

Tinostamustine is an alkylating histone-deacetylase inhibitor (HDACi) fusion molecule composed of the alkylating agent bendamustine fused to the pan-HDACi vorinostat, with potential bi-functional antineoplastic activity. Upon administration of tinostamustine the vorinostat moiety targets and binds to HDACs. This leads to an accumulation of highly acetylated histones, which results in an induction of chromatin remodeling, a modulation of gene expression, an inhibition of tumor cell division and the induction of tumor cell apoptosis. The bendamustine moiety binds to, alkylates and crosslinks macromolecules, inhibiting DNA, RNA and protein synthesis, which also results in tumor cell apoptosis. Thus, tinostamustine shows superior efficacy compared to the activity of either agent alone.

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In addition, the inhibition of HDAC6 activity by tinostamustine induces the activation of inositol-requiring enzyme 1 (IRE-1), the key regulatory protein for the unfolded protein response (UPR). Induction of the UPR increases the sensitivity of certain cancer cell types to certain chemotherapeutic agents, such as proteasome inhibitors. Therefore, tinostamustine may work synergistically with proteasome inhibitors. HDACs, enzymes that deacetylate chromatin histone proteins, are overexpressed in various cancers and play a key role in proliferation and resistance of tumor cells.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-N-hydroxyheptanamide
CAS number
1236199-60-2
EC number
985-846-7
Molecular formula
C19H28Cl2N4O2
UNII
29DKI2H2NY
MDL number
MFCD28400036
InChIKey
GISXTRIGVCKQBX-UHFFFAOYSA-N
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)
SMILES (canonical and isomeric)
CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCCCCC(=O)NO

Synonyms

  • EDO-S 101
  • 7-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)-N-hydroxyheptanamide
  • Tinostamustina
  • 1H-Benzimidazole-2-heptanamide, 5-[bis(2-chloroethyl)amino]-N-hydroxy-1-methyl-
  • 1H-Benzimidazole-2-heptanamide, 5-(bis(2-chloroethyl)amino)-N-hydroxy-1-methyl-
  • tinostamustinum
  • 7-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo(d)imidazol-2-yl)-N-hydroxyheptanamide
  • 7-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-1,3-benzodiazol-2-yl)-N-hydroxyheptanamide
  • Tinostamustine(EDO-S101)
  • 7-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-N-hydroxyheptanamide
  • Minomustine
  • Tinostamustine (USAN/INN)
  • C19H28Cl2N4O2
  • EDO-S101, 98%
  • 7-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]heptanehydroxamic acid
  • 7-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}-N-hydroxyheptanamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
415.37 g/molcalc.
Exact mass
414.1589 Dacalc.
LogP (octanol/water)
3.86calc.
Topological polar surface area
70.39 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
12calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2[nH]cnc2c1

c1ccc2[nH]cnc2c1

2 rings, 9 atoms, the Benzimidazole ring system.

8,995 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H340May cause genetic defects.
  • H350May cause cancer.
  • H360May damage fertility or the unborn child.
Precautionary statements (13)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Tinostamustine suppliers

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Where suppliers are based

1 supplier in 1 country

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Tinostamustine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Tinostamustine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Tinostamustine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tinostamustine, based on the data on this page

What is Tinostamustine?

Tinostamustine is an alkylating histone-deacetylase inhibitor (HDACi) fusion molecule composed of the alkylating agent bendamustine fused to the pan-HDACi vorinostat, with potential bi-functional antineoplastic activity. Upon administration of tinostamustine the vorinostat moiety targets and binds to HDACs.

What is the CAS number of Tinostamustine?

The CAS registry number of Tinostamustine is 1236199-60-2.

What is the molecular formula and weight of Tinostamustine?

The molecular formula of Tinostamustine is C19H28Cl2N4O2 and its molar mass is 415.37 g/mol.

What is Tinostamustine used for?

Known uses and roles of Tinostamustine include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Tinostamustine hazardous?

Tinostamustine carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes skin irritation, may cause genetic defects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Tinostamustine?

Tinostamustine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tinostamustine?

CompoundList lists 1 supplier of Tinostamustine in Canada. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Tinostamustine?

Suppliers quote Tinostamustine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Tinostamustine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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