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?? ??:: 1108743-60-7

???:: ?????

???(??):: ?????

???:: Entrectinib

???(??):: N-[5-[(3,5-Difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]benzamide;CS-1589;NMS-E628;RXDX-101;ROZLYTREK);Entrectinib;entrecitinib;13C,2H3]-Entrectinib;Biopterin Impurity 4;Entrectinib(NMS-E628)

CBNumber:: CB93040787

???:: C31H34F2N6O2

??? ??:: 560.64

MOL ??:: 1108743-60-7.mol

?? ?? 201

????? ??

?? ?: 717.5±60.0 °C(Predicted)

??: 1.340±0.06 g/cm3(Predicted)

?? ??: Store at -20°C

???: ≥28.05 mg/mL in DMSO; insoluble in H2O; ≥9.82 mg/mL in EtOH with ultrasonic

??? ??: ??

??? ??: ??? ??

?? ?? (pKa): 12.01±0.43(Predicted)

??: Off-white to light yellow

InChIKey: HAYYBYPASCDWEQ-UHFFFAOYSA-N

SMILES: C(NC1C2=C(NN=1)C=CC(CC1=CC(F)=CC(F)=C1)=C2)(=O)C1=CC=C(N2CCN(C)CC2)C=C1NC1CCOCC1

?? ? ?? ??
?? ? ???? ?? (GHS)

????(GHS):

?? ?:

Warning

??·?? ??:

??	??·?? ??	?? ??	??	?? ?	P- ??
H315	??? ??? ???	????? ?? ?????	?? 2	??	P264, P280, P302+P352, P321,P332+P313, P362
H319	?? ?? ??? ???	?? ? ?? ?? ??? ??	?? 2A	??	P264, P280, P305+P351+P338,P337+P313P
H335	?? ???? ??? ? ??	?? ???? ?? - 1? ??;???? ??	?? 3	??

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P261	??·?·??·???·??·...·????? ??? ????.
P264	?? ??? ?? ??? ????.
P264	?? ??? ?? ??? ????.
P271	?? ?? ??? ? ?? ???? ?????.
P280	????/???/???/?????? ?????.
P302+P352	??? ??? ??? ?? ????.
P304+P340	???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338	?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P312	???? ??? ????(??)? ??? ????.
P321	(…) ??? ???.
P332+P313	?? ??? ??? ???? ??· ??? ????.
P337+P313	?? ?? ??? ???? ???? ??· ??? ????.
P403+P233	??? ??? ? ?? ?? ??? ???? ?????.
P405	???? ?????.
P501	...? ??? / ??? ?? ???.

NFPA 704

	0
2		0

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Entrectinib (RXDX-101, Ignyta Pharmaceuticals, San Diego, CA, USA) is a small molecule that inhibits the tyrosine kinases TRKA/B/C, ROS1, and ALK (Table?1). It has a preclinical median inhibitory concentration (IC50) of 7?nm against ROS1, higher than crizotinib [95, 96]. Entrectinib was specifically designed to cross the blood-brain barrier [95].

??

Entrectinib, also known as RXDX-101 and NMS-E628, is an oral small molecule inhibitor of TrkA, TrkB and TrkC, as well as ROS1 and ALK, with high potency and selectivity. RXDX-101 has demonstrated potent pharmacological activity in preclinical studies and has the potential to be first-in-class against the Trk family of kinases. PXDX-101 has been well tolerated in patients with advanced solid tumors. PXDX-101 is currently in clinical trials, and is being developed by Ignyta.

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Rozlytrek

Clinical Use

Entrectinib demonstrated potent antitumor effects in tumor cell lines and patient-derived xenograft (PDX) tumor models in preclinical studies. Furthermore, entrectinib can cross the blood–brain barrier (BBB) to impact primary brain tumors and brain metastases in patients with NTRK1/ NTRK2/NTRK3, ROS1, and ALK fusion-driven cancers.

????? ?? ?? ? ???

???

Benzamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)(2,2,2-trifluoroacetyl)amino]- Benzamide, 2-?amino-?N-?[5-?[(3,?5-?difluorophenyl)?methyl]?-?1H-?indazol-?3-?yl]?-?4-?(4-?methyl-?1-?piperazinyl)?- 3,5-Difluorobenzyl bromide 5-(3,5-difluorobenzyl)-2-fluorobenzonitrile 4-????-2-?????? tert-??4-(4-??????-1-?)-2-???????? 4-Fluoro-2-Nitro-BenzoicAcidTert-?????? tert-butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate 5-(3,5-difluorobenzyl)-1H-indazol-3-amine 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid tert-butyl ester 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)amino]benzoic acid tert-butyl ester 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate 3-Cyano-4-fluorobenzeneboronic acid Tetrahydro-4H-pyran-4-one

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???( 201)?? ??

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????? ?? ??:

Entospletinib (GS-9973) 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide hydrate Brigatinib lenvatinib Mesylate Dabrafenib Trametinib Regorafenib Neratinib Poziotinib (HM781-36B) Dacomitinib (PF299804) Cabozantinib Malate Cediranib Maleate Crizotinib Afatinib (BIBW 2992) Lorlatinib (PF-06463922) AZD-9291 Nintedanib Ethanesulfonate Salt Olaparib

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