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1316214-52-4

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1316214-52-4 Usage

Description

ACY-1215 is an inhibitor of histone deacetylase 6 (HDAC6) with an IC50 of 5 nM. It is a selective inhibitor, showing at least 10-fold less activity against other HDACs in enzymatic assays. ACY-1215 has potential applications in the treatment of cancers, particularly multiple myeloma (MM), and in the management of polycystic liver disease.

Uses

Used in Cancer Treatment:
ACY-1215 is used as a selective HDAC-6 inhibitor for the treatment of multiple myeloma (MM). It acts by inducing protracted endoplasmic reticulum stress and apoptosis in MM cells, showing synergistic activity when combined with the proteasome inhibitor bortezomib. This combination suppresses tumor growth and increases survival in mice with MM and mantle cell lymphoma xenografts.
Used in Drug Combination Therapy:
In a multicenter phase I trial, ACY-1215 is used in combination with the E3 ligase inhibitor lenalidomide and dexamethasone for the treatment of multiple myeloma. This combination therapy aims to enhance the inhibition of HDAC6 in vivo, potentially improving treatment outcomes for patients with MM.
Used in Polycystic Liver Disease Management:
ACY-1215 is used as a therapeutic agent for diminishing liver cyst development and fibrosis in a rat model of polycystic liver disease. Its potential application in this area highlights its versatility beyond cancer treatment.

Check Digit Verification of cas no

The CAS Registry Mumber 1316214-52-4 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,1,6,2,1 and 4 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1316214-52:
(9*1)+(8*3)+(7*1)+(6*6)+(5*2)+(4*1)+(3*4)+(2*5)+(1*2)=114
114 % 10 = 4
So 1316214-52-4 is a valid CAS Registry Number.

1316214-52-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

1.2 Other means of identification

Product number -
Other names ACY-1215

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1316214-52-4 SDS

1316214-52-4Synthetic route

C25H28N4O3
1316216-07-5

C25H28N4O3

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Stage #1: C25H28N4O3 With sodium hydroxide In methanol; dichloromethane at 0℃; for 0.166667h;
Stage #2: With hydroxylamine In methanol; dichloromethane; water at 0 - 20℃; for 0.333333h;
Stage #3: With hydrogenchloride In water
48%
Stage #1: C25H28N4O3 With methanol; sodium hydroxide In dichloromethane at 0℃; for 0.166667h;
Stage #2: With hydroxylamine In dichloromethane at 0 - 20℃; for 0.333333h;
48%
Stage #1: C25H28N4O3 With sodium hydroxide In methanol; dichloromethane at 0℃; for 0.166667h;
Stage #2: With hydroxylamine In methanol; dichloromethane at 0 - 20℃; for 20h;
48%
ethyl 2-chloropyrimidine-5-carboxylate
89793-12-4

ethyl 2-chloropyrimidine-5-carboxylate

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C
2.1: caesium carbonate / copper(l) iodide / tetraethoxy orthosilicate / 14 h / 140 °C
3.1: water / ethanol / 0.5 h / 60 °C
4.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
5.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
5.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
2.1: tetraethoxy orthosilicate; copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
3.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
4.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
5.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
5.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
2.1: copper(l) iodide; caesium carbonate; tetraethoxy orthosilicate / 14 h / 140 °C / Inert atmosphere
3.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
4.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
5.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
5.2: 20 h / 0 - 20 °C
View Scheme
aniline
62-53-3

aniline

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C
2.1: caesium carbonate / copper(l) iodide / tetraethoxy orthosilicate / 14 h / 140 °C
3.1: water / ethanol / 0.5 h / 60 °C
4.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
5.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
5.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
2.1: tetraethoxy orthosilicate; copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
3.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
4.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
5.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
5.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
2.1: copper(l) iodide; caesium carbonate; tetraethoxy orthosilicate / 14 h / 140 °C / Inert atmosphere
3.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
4.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
5.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
5.2: 20 h / 0 - 20 °C
View Scheme
ethyl 2-(phenylamino)pyrimidine-5-carboxylate
864172-93-0

ethyl 2-(phenylamino)pyrimidine-5-carboxylate

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: caesium carbonate / copper(l) iodide / tetraethoxy orthosilicate / 14 h / 140 °C
2.1: water / ethanol / 0.5 h / 60 °C
3.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
4.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
4.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 4 steps
1.1: tetraethoxy orthosilicate; copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
2.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
3.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
4.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
4.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 4 steps
1.1: copper(l) iodide; caesium carbonate; tetraethoxy orthosilicate / 14 h / 140 °C / Inert atmosphere
2.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
3.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
4.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
4.2: 20 h / 0 - 20 °C
View Scheme
C19H17N3O2
1316216-05-3

C19H17N3O2

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: water / ethanol / 0.5 h / 60 °C
2.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
3.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
3.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 3 steps
1.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
2.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
3.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
3.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 3 steps
1.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
2.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
3.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
3.2: 20 h / 0 - 20 °C
View Scheme
C17H13N3O2
1316216-06-4

C17H13N3O2

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
2.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
2.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
2.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
2.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
2.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
2.2: 20 h / 0 - 20 °C
View Scheme
2-hydroxy-pyrimidine-5-carboxylic acid ethyl ester
95928-49-7

2-hydroxy-pyrimidine-5-carboxylic acid ethyl ester

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: dmap; trichlorophosphate / 1.5 h / Reflux
1.2: pH 7
2.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C
3.1: caesium carbonate / copper(l) iodide / tetraethoxy orthosilicate / 14 h / 140 °C
4.1: water / ethanol / 0.5 h / 60 °C
5.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
6.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
6.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 6 steps
1.1: trichlorophosphate; dmap / 1.5 h / Reflux
1.2: pH 7
2.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
3.1: tetraethoxy orthosilicate; copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
4.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
5.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
6.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
6.2: 0.33 h / 0 - 20 °C
View Scheme
4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran
96042-30-7

4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
With sodium hydroxide; hydroxylamine
iodobenzene
591-50-4

iodobenzene

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
2.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 °C
4.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
4.2: 0.33 h / 0 - 20 °C
View Scheme
methyl 7-aminoheptanoate
39979-08-3

methyl 7-aminoheptanoate

C17H13N3O2
1316216-06-4

C17H13N3O2

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 °C
2.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
2.2: 0.33 h / 0 - 20 °C
View Scheme

1316214-52-4Downstream Products

1316214-52-4Relevant articles and documents

METHODS OF USE AND PHARMACEUTICAL COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS AND JAK 1 2 INHIBITORS

-

Page/Page column 27-29, (2019/06/17)

The disclosure relates to pharmaceutical combinations comprising an HDAC6 selective inhibitor and a JAK1/2 inhibitor for the treatment of a cancer, such as a hematological cancer, in a subject in need thereof. Also provided herein are methods for treating a cancer in a subject in need thereof, comprising administering to the subject an effective amount of an HDAC6 selective inhibitor and a JAK1/2 inhibitor.

PHARMACEUTICAL COMBINATIONS COMPRISING A HISTONE DEACETYLASE INHIBITOR AND A PROGRAMMED DEATH-LIGAND 1 (PD-L1) INHIBITOR AND METHODS OF USE THEREOF

-

Page/Page column 31, (2018/06/12)

The present disclosure relates to a pharmaceutical combination comprising (a) a histone deacetylase 6 inhibitor and (b) a programmed death ligand 1 (PD-L1) inhibitor, including combined preparations and pharmaceutical compositions thereof; uses of such combination in the treatment or prevention of cancer; and methods of treating or preventing cancer in a subject comprising administering a therapeutically effective amount of such combination.

PHARMACEUTICAL COMBINATIONS COMPRISING A HISTONE DEACETYLASE INHIBITOR AND AN AURORA KINASE INHIBITOR AND METHODS OF USE THEREOF

-

Page/Page column 33, (2018/05/24)

The present disclosure relates to a pharmaceutical combination comprising (a) a histone deacetylase 6 inhibitor and (b) an aurora kinase inhibitor, including combined preparations and pharmaceutical compositions thereof; uses of such combination in the treatment or prevention of cancer; and methods of treating or preventing cancer in a subject comprising administering a therapeutically effective amount of such combination.

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