| Company Name: |
TargetMol Chemicals Inc.
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15002134094 |
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Product Name:HDAC-IN-31
CAS:1916505-13-9
Package:100mg/RMB 17500;50mg/RMB 13800;25mg/RMB 10600
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Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- manufacturers
- HDAC-IN-31
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- $2500.00 / 100mg
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2025-10-27
- CAS:1916505-13-9
- Min. Order:
- Purity:
- Supply Ability: 10g
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| | Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- Basic information |
| | Benzamide, N-(2-aminophenyl)-4-[[(3E)-2-oxo-3-(2-pyridinylmethylene)-1-piperidinyl]methyl]- Chemical 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]- Usage And Synthesis |
| 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].
| Parameters | Unit | 24 g (25 mg/kg) | | Cmax | ng·h·mL-1 | 3100±231 | | T1/2(po) | h | 4.4±0.3 | | AUC0-inf(iv) | ng·h·mL-1 | 1040±142 | | AUC0-inf(po) | ng·h·mL-1 | 5180±252 | | MRTPO | h | 2.6±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]. | Parameters | Unit | po (25 mg/kg) | po (50 mg/kg) | po (100 mg/kg) | | Cmax | ng·h·mL-1 | 1700±317 | 14700±1024 | 10700±1001 | | AUC0-t | ng·h·mL-1 | 1220±242 | 9710±314 | 9740±230 | | AUC0-inf | ng·h·mL-1 | 1230±165 | 9730±341 | 9770±332 | | MRT0-t | h | 0.750±0.043 | 0.812±0.023 | 1.43±0.56 | | MRT0-inf | h | 0.805±0.086 | 0.821±0.041 | 1.51±0.32 |
Mouse; 25, 50, 100 mg/kg for p.o. [1]. Pharmacokinetic Parameters of HDAC-IN-31 in tumor models[1]. | PK parameters | Unit | iv (2 mg/kg) | po (10 mg/kg) | po (100 mg/kg) | | Cmax | ng·h·mL-1 | | 3960±413 | 58300±1352 | | T1/2 | h | 0.427±0.016 | 1.31±0.27 | 1.63±0.52 | | AUC0-inf | ng·h·mL-1 | 1250±132 | 2670±286 | 57200±1047 | | MRT | h | 0.402±0.032 | 0.919±0.052 | 0.897±0.041 | | CL | mL·kg·min-1 | 27.2±1.2 | | | | F | % | | 45.6±1.2 | 91.8±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 parameters | Unit | Monkey | Dog | | | iv (1 mg/kg) | po (10 mg/kg) | iv (1 mg/kg) | po (10 mg/kg) | | Cmax | ng·h·mL-1 | | 8520±301 | | 4740±243 | | T1/2 | h | 4.31±0.56 | 9.14±0.32 | 1.65±0.41 | 1.51±0.33 | | AUC0-inf | ng·h·mL-1 | 15700±1842 | 53200±1241 | 2550±365 | 15100±2004 | | MRT | h | 3.41±0.12 | 8.28±0.32 | 2.26±0.41 | 2.71±0.32 | | CL | mL·kg·min-1 | 1.35±0.21 | | 6.72±0.35 | | | Vdss | L·kg-1 | 0.34±0.22 | | 0.55±0.04 | | | F | % | | 27.6±2.1 | | 58.9±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 |
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