ChemicalBook--->CAS DataBase List--->1435488-37-1

1435488-37-1

1435488-37-1 Structure

1435488-37-1 Structure
IdentificationBack Directory
[Name]

XMD17 109
[CAS]

1435488-37-1
[Synonyms]

CS-1288
XMD17 109
XMD17-109
XMD17 109;XMD17109
11-Cyclopentyl-2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one
11-Cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-
11-Cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one XMD17-109
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C36H46N8O3
[MDL Number]

MFCD26142929
[MOL File]

1435488-37-1.mol
[Molecular Weight]

638.8
Chemical PropertiesBack Directory
[storage temp. ]

-20°C
[solubility ]

≥31.95 mg/mL in DMSO; insoluble in H2O; ≥86.6 mg/mL in EtOH
[form ]

powder
[color ]

white to beige
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P305+P351+P338
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

ERK5-IN-1 is a potent selective ERK5 inhibitor, inhibiting EGFR-induced ERK5 autophosphorylation and ERK5 enzymatic activity. Orally bioavailable.
[Biological Activity]

xmd17-109 is a new inhibitor of erk5, ic50 value in hela cell is 0.09 ± 0.03 μm, and in vitro, enzymatic ic50 value is 0.162 ± 0.006 μm.xmd17-109 is capable of inhibiting the erk5 autophosphorylation in cells.[1]through intravenous injection and oral delivery of xmd17-109 in mice, the pharmacokinetic properties of this compound are as bellows: the t1/2 (half time) is 8.2 h, the plasma clearance is 8.64 ml/min/kg (data of intravenous injection), the auc (area under the curve) of oral delivery is 15745 h*ng/ml and the oral bioavailability is 90%.
[storage]

Store at -20°C
[References]

1. deng, x., et al., structural determinants for erk5 (mapk7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11h)-ones. european journal of medicinal chemistry, 2013. 70: p. 758-767.
Spectrum DetailBack Directory
[Spectrum Detail]

XMD17 109(1435488-37-1)MS
XMD17 109(1435488-37-1)1HNMR
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