Chinese Japanese Germany Korea
ChemicalBook >> CAS DataBase List >>Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]-

Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]-

Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- Structure
Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- structure
CAS No.
1916505-13-9
Chemical Name:
Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]-
Synonyms
HDAC-IN-31;Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]-
CBNumber:
CB810613131
Molecular Formula:
C25H24N4O2
Molecular Weight:
412.48
MDL Number:
MOL File:
1916505-13-9.mol
Last updated:2025-10-28 16:00:23
Request For Quotation

Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- Properties

Boiling point 625.4±55.0 °C(Predicted)
Density 1.311±0.06 g/cm3(Predicted)
pka 13.12±0.70(Predicted)

Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- Chemical Properties,Uses,Production

Uses

HDAC-IN-31 is a potent, selective and orally active HDAC inhibitor with IC50s of 84.90, 168.0, 442.7, >10000 nM for HDAC1, HDAC2, HDAC3, HDAC8, respectively. HDAC-IN-31 induces apoptosis and cell cycle arrests at G2/M phase. HDAC-IN-31 shows good antitumor efficacy. HDAC-IN-31 has the potential for the research of diffuse large B-cell lymphoma[1].

in vivo

HDAC-IN-31 (2 mg/kg for i.v.; 10, 100 mg/kg for p.o.) shows good bioavailability with a significant dose dependent manner[1].
HDAC-IN-31 (50, 100 mg/kg; p.o, daily for 21 consecutive days) shows good antitumor efficacy in a TMD-8 xenograft model without obvious toxicity[1].
Pharmacokinetic Parameters of HDAC-IN-31 in mice[1].

ParametersUnit24 g (25 mg/kg)
Cmaxng·h·mL-13100±231
T1/2(po)h4.4±0.3
AUC0-inf(iv)ng·h·mL-11040±142
AUC0-inf(po)ng·h·mL-15180±252
MRTPOh2.6±0.4
F%39.9±2.1
ICR mouse; 2 mg/kg for i.v.; 25 mg/kg for p.o.[1].
Pharmacokinetic Parameters of HDAC-IN-31 in tumor models[1].
ParametersUnitpo (25 mg/kg)po (50 mg/kg)po (100 mg/kg)
Cmaxng·h·mL-11700±31714700±102410700±1001
AUC0-tng·h·mL-11220±2429710±3149740±230
AUC0-infng·h·mL-11230±1659730±3419770±332
MRT0-th0.750±0.0430.812±0.0231.43±0.56
MRT0-infh0.805±0.0860.821±0.0411.51±0.32
Mouse; 25, 50, 100 mg/kg for p.o.[1].
Pharmacokinetic Parameters of HDAC-IN-31 in tumor models[1].
PK parametersUnitiv (2 mg/kg)po (10 mg/kg)po (100 mg/kg)
Cmaxng·h·mL-13960±41358300±1352
T1/2h0.427±0.0161.31±0.271.63±0.52
AUC0-infng·h·mL-11250±1322670±28657200±1047
MRTh0.402±0.0320.919±0.0520.897±0.041
CLmL·kg·min-127.2±1.2
F%45.6±1.291.8±2.3
ICR mice; 2 mg/kg for i.v.; 10, 100 mg/kg for p.o.[1].
Pharmacokinetic Parameters of HDAC-IN-31 in tumor models[1].
PK parametersUnitMonkeyDog
iv (1 mg/kg)po (10 mg/kg)iv (1 mg/kg)po (10 mg/kg)
Cmaxng·h·mL-18520±3014740±243
T1/2h4.31±0.569.14±0.321.65±0.411.51±0.33
AUC0-infng·h·mL-115700±184253200±12412550±36515100±2004
MRTh3.41±0.128.28±0.322.26±0.412.71±0.32
CLmL·kg·min-11.35±0.216.72±0.35
VdssL·kg-10.34±0.220.55±0.04
F%27.6±2.158.9±1.2
Dogs and monkeys; 1 mg/kg for i.v., 10 mg/kg for p.o. for monkey; 1 mg/kg for i.v., 10 mg/kg for p.o. for dog[1].
Animal Model:ICR mice[1]
Dosage:2 mg/kg for i.v.; 25 mg/kg for p.o.(DMSO/PEG200/saline = 20:20:60, v/v/v)
Administration:I.v. or p.o.
Result:Showed high oral bioavailability (F=40%).
Animal Model:Mouse[1]
Dosage:25, 50, 100 mg/kg
Administration:P.o.
Result:Did not exhibit a significant dose dependent for oral administration.
Animal Model:ICR mice[1]
Dosage:2, 10, 100 mg/kg (into the form of hydrochloride)
Administration:2 mg/kg for i.v.; 10, 100 mg/kg for p.o.
Result:Showed good bioavailability with a significant dose dependent.
Animal Model:Dogs and monkeys[1]
Dosage:1, 10 mg/kg
Administration:1 mg/kg for i.v.; 10 mg/kg for p.o.
Result:Showed good pharmacokinetic characteristics for different species.
Animal Model:5-6 weeks, female CB.17 SCID mice (TMD-8 tumor xenografts)[1]
Dosage:50, 100 mg/kg
Administration:P.o, daily for 21 consecutive days
Result:Inhibited the tumor growth with the inhibition rate of 77% and had no significant effect on the internal organs of mice at 100 mg/kg/d.

IC 50

HDAC1: 84.90 nM (IC50); HDAC2: 168.0 nM (IC50); HDAC3: 442.7 nM (IC50); HDAC8: >10000 nM (IC50)

References

[1] Cui H,et al. Design and synthesis of HDAC inhibitors to enhance the therapeutic effect of diffuse large B-cell lymphoma by improving metabolic stability and pharmacokinetic characteristics. Eur J Med Chem. 2022 Feb 5;229:114049. DOI:10.1016/j.ejmech.2021.114049

Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- Preparation Products And Raw materials

Raw materials

Preparation Products

Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- Suppliers

Global( 2)Suppliers
Supplier Tel Email Country ProdList Advantage
TargetMol Chemicals Inc. 		+17819995354 marketing@targetmol.com United States 19962 58
TargetMol Chemicals Inc. 15002134094 marketing@targetmol.cn China 29641 58
Supplier Advantage
TargetMol Chemicals Inc. 		58
TargetMol Chemicals Inc. 58

View Lastest Price from Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
HDAC-IN-31 pictures 2025-10-27 HDAC-IN-31
1916505-13-9
 US $2500.00-1520.00 / mg 10g TargetMol Chemicals Inc.
  • HDAC-IN-31 pictures
  • HDAC-IN-31
    1916505-13-9
  • US $2500.00-1520.00 / mg
  • TargetMol Chemicals Inc.
Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- HDAC-IN-31 1916505-13-9