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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > N-(2-Aminophenyl)-4-([[4-(pyridin-3-yl)pyrimidin-2-yl]amino]methyl)benzamide
N-(2-Aminophenyl)-4-([[4-(pyridin-3-yl)pyrimidin-2-yl]amino]methyl)benzamide structure, CAS 726169-73-9

N-(2-Aminophenyl)-4-([[4-(pyridin-3-yl)pyrimidin-2-yl]amino]methyl)benzamide

CAS Number726169-73-9

SynonymsMocetinostat; N-(2-Aminophenyl)-4-({[4-(3-pyridinyl)-2-pyrimidinyl]amino}methyl)benzamide; MGCD0103; MGCD 0103; S1122_Selleck; N-(2-aminophenyl)-4-((4-pyridin-3-ylpyrimidin-2-ylamino)methyl)benzamide; N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide

Molecular FormulaC23H20N6O

Molecular Weight396.44

Purity≥95 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9058014 Purity: ≥95 (HPLC)%
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Quality Control of [ 726169-73-9 ] Purity: ≥95 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number726169-73-9
Catalog No.2A-9058014
Chinese Name阿比特龙
SynonymsMocetinostat; N-(2-Aminophenyl)-4-({[4-(3-pyridinyl)-2-pyrimidinyl]amino}methyl)benzamide; MGCD0103; MGCD 0103; S1122_Selleck; N-(2-aminophenyl)-4-((4-pyridin-3-ylpyrimidin-2-ylamino)methyl)benzamide; N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide
Molecular FormulaC23H20N6O
Molecular Weight396.44
Purity≥95 (HPLC)
Density1.3±0.1 g/cm3
Appearancepowder
Storage Condition-20°C
ApplicationMocetinostat (MGCD0103) is a potent, orally available and isoform-selective HDAC (Class I/IV) inhibitor with IC50s of 0.15, 0.29, 1.66 and 0.59 μM for HDAC1, HDAC2, HDAC3 and HDAC11, respectively. Moc
HTC2933990090
MDL NumberMFCD10565970
SMILESN(Cc3ccc(cc3)C(=O)Nc4c(cccc4)N)c1nc(ccn1)c2cnccc2
InChI1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
InChI KeyHRNLUBSXIHFDHP-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC12352200
MSDSmsds/58014_1_726169_73_9.pdf
Use ofMocetinostat (MGCD0103) is a potent, orally active and isotype-selective HDAC (Class I/IV) inhibitor with IC50s of 0.15, 0.29, 1.66 and 0.59 μM for HDAC1, HDAC2, HDAC3 and HDAC11, respectively. Mocetinostat shows no inhibition on HDAC4, HDAC5, HDAC6, HDAC7, or HDAC8. Properties Name N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide Synonym More Synonyms Mocetinostat(MGCD0103) Biological Activity Description Mocetinostat (MGCD0103) is a potent, orally active and isotype-selective HDAC (Class I/IV) inhibitor with IC50s of 0.15, 0.29, 1.66 and 0.59 μM for HDAC1, HDAC2, HDAC3 and HDAC11, respectively. Mocetinostat shows no inhibition on HDAC4, HDAC5, HDAC6, HDAC7, or HDAC8. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Cell Cycle/DNA Damage >> HDAC Signaling Pathways >> Epigenetics >> HDAC Research Areas >> Cancer HDAC1:0.15 μM (IC50) HDAC2:0.29 μM (IC50) HDAC11:0.59 μM (IC50) HDAC3:1.66 μM (IC50) References [1]. Fournel M, et al. MGCD0103, a novel isotype-selective histone deacetylase inhibitor, has broad spectrum antitumor activity in vitro and in vivo. Mol Cancer Ther. 2008 Apr;7(4):759-68. [2]. Cai J, et al. The Effect of MGCD0103 on CYP450 Isoforms Activity of Rats by Cocktail Method. Biomed Res Int. 2015;2015:517295. Chemical & Physical Properties Molecular Formula C23H20N6O Exact Mass 396.169861 PSA 105.82000 Index of Refraction 1.730 InChIKey HRNLUBSXIHFDHP-UHFFFAOYSA-N Safety Information HS Code 2933990090 Synthetic Route 4-({[4-(Pyridin... CAS#:849235-68-3 o-Phenylenediamine CAS#:95-54-5 Mocetinostat(MG... CAS#:726169-73-9 Literature: Zhou, Nancy; Moradei, Oscar; Raeppel, Stephane; Leit, Silvana; Frechette, Sylvie; Gaudette, Frederic; Paquin, Isabelle; Bernstein, Naomy; Bouchain, Giliane; Vaisburg, Arkadii; Jin, Zhiyun; Gillespie, Jeff; Wang, James; Fournel, Marielle; Yan, Pu T.; Trachy-Bourget, Marie-Claude; Kalita, Ann; Lu, Aihua; Rahil, Jubrail; MacLeod, A. Robert; Li, Zuomei; Besterman, Jeffrey M.; Delorme, Daniel Journal of Medicinal Chemistry, 2008 , vol. 51, # 14 p. 4072 - 4075 Methyl 4-((4-(p... CAS#:849235-67-2 Mocetinostat(MG... CAS#:726169-73-9 Literature: Journal of Medicinal Chemistry, , vol. 56, # 15 p. 6156 - 6174 Methyl 4-(guani... CAS#:736080-30-1 Mocetinostat(MG... CAS#:726169-73-9 Literature: Journal of Medicinal Chemistry, , vol. 56, # 15 p. 6156 - 6174 Precursor & DownStream Precursor 5 CAS#:849235-68-3 4-({[4-(Pyridin... CAS#:95-54-5 o-Phenylenediamine CAS#:849235-67-2 Methyl 4-((4-(p... CAS#:736080-30-1 Methyl 4-(guani... DownStream 0
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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