Basic information
- CAS
929016-98-8- Standard SMILES
CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC.Cl.Cl- InChIKey
CHLPUMOYKYJFFH-PFNYCKIMSA-N- Molecular formula
- C20H32Cl2N4O2
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 430.1902317
Names & identifiers
- Preferred name
- Pracinostat hydrochloride
- IUPAC
- (E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;dihydrochloride
- English name
- Pracinostat Dihydrochloride
- Molecular formula
- C20H32Cl2N4O2
- Molecular weight
- 431.4
Names & synonyms
Pracinostat hydrochloride929016-98-8Pracinostat (dihydrochloride)(E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;dihydrochlorideCHEMBL3215861Fezolinetant dihydrochlorideorb2564458SCHEMBL19554744EX-A6226ADTXSID101352615HY-105246CS-0025479
Show more names
Fezolinetant NOFezolinetant HClPracinostat Dihydrochloride
T88235(2E)-3-{2-Butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide dihydrochloride(E)-3-(2-Butyl-1-(2-(diethylamino)ethyl)-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide dihydrochloride
Database identifiers
- CAS
929016-98-8- PubChem CID
- 90664458
- DTXSID
DTXSID101352615- ChEMBL
CHEMBL3215861
Properties
Computed structural properties
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- InChI
- InChI=1S/C20H30N4O2.ClH/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3;/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25);1H/b12-10+;
- InChIKey
- RCLMPSZFYQJPQD-VHPXAQPISA-N
- SMILES
- C(N1C(=NC2=CC(/C=C/C(=O)NO)=CC=C12)CCCC)CN(CC)CC.Cl
- FDA UNII
- 83 VNE45KXX · 83VNE45KXX
Chemistry & industry
Applications
DescriptionPracinostat Dihydrochloride is a potent histone deacetylase (HDAC) inhibitor with an IC50 of 40-140 nM, used in cancer research. It also inhibits the activity of metallo-β-lactamase structural domain-containing protein 2 (MBLAC2) hydrolase with an EC50 of less than 10 nM.
UsesPracinostat dihydrochloride is a potent histone deacetylase (HDAC) inhibitor, with IC50s of 40-140 nM, used for cancer research. Pracinostat dihydrochloride also inhibits metallo-β-lactamase domain-containing protein2 (MBLAC2) hydrolase activity with an EC50 below 10 nM[1][4].
Suppliers14 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
Related reactions
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Compound notes
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