Tacedinaline
Also known as ci-994, 4-acetamido-N-(2-aminophenyl)benzamide, CI 994
Key facts
What buyers check first
- CAS number
- 112522-64-2
- Formula
- C15H15N3O2
- Molar mass
- 269.30 g/mol
- EC number
- 631-226-3
- HS code
- 292429
- Category
- Aromatic building blocks
What is Tacedinaline?
Plain description, key identifiers and synonyms
Tacedinaline is a benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. It has a role as an antineoplastic agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a member of acetamides, a member of benzamides and a substituted aniline. It is functionally related to a 1,2-phenylenediamine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-acetamido-N-(2-aminophenyl)benzamide
- CAS number
- 112522-64-2 CAS number cross-checkedOther or deprecated CAS: 58338-59-3
- EC number
- 631-226-3
- Molecular formula
- C15H15N3O2
- UNII
- UMF554N5FG
- MDL number
- MFCD00866266
- InChIKey
- VAZAPHZUAVEOMC-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
- SMILES (canonical and isomeric)
- CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
Synonyms
- ci-994
- 4-acetamido-N-(2-aminophenyl)benzamide
- CI 994
- Tacedinalina
- 4-(Acetylamino)-N-(2-aminophenyl)benzamide
- N-acetyldinaline
- Goe 5549
- Goe-5549
- PD 123654
- C.I. 994
- N-(2-aminophenyl)-4-acetamidobenzamide
- tacedinalinum
- N-acetyl Dinaline
- Acetyldinaline
- 4-acetylamino-N-(2'-aminophenyl)benzamide
- CI994 (Tacedinaline)
- Tacedinaline (CI-994)
- Tacedinaline (CI994)
- Benzamide, 4-(acetylamino)-N-(2-aminophenyl)-
- 4-(Acetylamino)-N-(2-aminophenyl)be nzamide
- Tacedinaline (USAN/INN)
- CI-994, Free Base
- CI994 (Tacedinaline)?
- CI-994, >=98% (HPLC), powder
- 4-Acetamino-N-(2'-aminophenyl)-benzamide
Show all 26 synonymsShow fewer synonyms
- CI994, CI-994, CI 994, PD123654, PD-123654, PD 123654, Tacedinaline, acetyldinaline
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 | 269.30 g/molcalc.Computed value |
|---|---|
| Exact mass | 269.1164 Dacalc.Computed value |
| LogP (octanol/water) | 2.48calc.Computed value |
| Topological polar surface area | 84.22 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 20calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.07calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C(Nc1ccccc1)c1ccccc1
2 rings, 15 atoms, the Benzanilide ring system.
13,118 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H319Causes serious eye irritation.
Precautionary statements (4)
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P337 + P317If eye irritation persists: Get medical help.
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 aidTacedinaline suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Price on request
- China, ShanghaiUnclaimed profileTacedinalineGrade, purity and minimum order on requestPrice on request
- United States, FriscoUnclaimed profileTacedinalineGrade, purity and minimum order on requestPrice on request
- China, KowloonUnclaimed profileTacedinalineGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileTacedinalineGrade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profileTacedinalineGrade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileTacedinalineGrade, purity and minimum order on requestPrice on request
- United States, RestonUnclaimed profileTacedinalineGrade, purity and minimum order on requestPrice on request
- Price on request
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
18 suppliers in 3 countries
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Tacedinaline price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Antineoplastic Agents
- Histone Deacetylase Inhibitors
Roles
- antineoplastic agent
- enzyme inhibitor
- pharmaceutical
Pharmacology
Tacedinaline is an orally bioavailable substituted benzamide derivative with potential antineoplastic activity. Tacedinaline inhibits histone deacetylation, which may result in histone hyperacetylation, followed by the induction of differentiation, the inhibition of cell proliferation, and apoptosis in susceptible tumor cell populations.
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 Tacedinaline is traded under.
Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other
- China32.3%
- Switzerland * partner reported13.6%
- Norway * partner reported12.8%
- United States15.9%
- Ireland15.8%
- Germany11.9%
* Partner reported figures, a lower bound.
The HS code shown for Tacedinaline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Tacedinaline, based on the data on this page
What is Tacedinaline?
What is the CAS number of Tacedinaline?
What is the molecular formula and weight of Tacedinaline?
What is Tacedinaline used for?
Is Tacedinaline hazardous?
What is the HS code of Tacedinaline?
Where can I buy Tacedinaline?
What is the price of Tacedinaline?
Guides for buyers
Practical guides that help when you source, ship or handle Tacedinaline
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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