AG0039PL

379231-04-6 | N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-[(tetrahydro-2H-pyran-4-yl)oxy]-4-quinazolinamine

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CAS Number	379231-04-6
Catalog Number	AG0039PL(AGN-PC-0N27DH)
Chemical Name	N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-[(tetrahydro-2H-pyran-4-yl)oxy]-4-quinazolinamine
IUPAC Name	N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
InChI	InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
InChI Key	OUKYUETWWIPKQR-UHFFFAOYSA-N
MDL Number	MFCD09832698
Molecular Formula	C27H32ClN5O5
Molecular Weight	542.0265
SMILES	ClC1=C(C2=C(OCO2)C=C1)NC1=NC=NC2=CC(=CC(=C12)OC1CCOCC1)OCCN1CCN(CC1)C
UNII	9KD24QGH76
Synonyms	4-Quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methyl-1- piperazinyl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)-, AZD 0530, AZD-0530, AZD0530, AZD0530 Difumarate, N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-((tetrahydro- 2H-pyran-4-yl)oxy)quinazolin-4-amine bi((2E)-but-2-enedioate), N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, saracatinib, saracatinib difumerate, Saracatinib, 379231-04-6, AZD0530, Saracatinib (AZD0530), AZD-0530, AZD 0530, UNII-9KD24QGH76, SARACATINIB, FREE BASE, 9KD24QGH76, CHEMBL217092, N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-[(tetrahydro-2H-pyran-4-yl)oxy]-4-quinazolinamine, N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, 4-(6-Chloro-2,3-methylenedioxyanilino)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-tetrahydropyran-4-yloxyquinazoline, N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, Q-201699, H8H, N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine, nchembio866-comp19, Saracatinib [USAN:INN], 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline, 2h8h, Saracatinib,AZD0530, Saracatinib (USAN/INN), cc-81, Saracatinib - AZD0530, Saracatinib, AZD 0530, SCHEMBL41547, MLS006011166, GTPL7731, QCR-70, BDBM12255, KS-00001CQC, AOB1916, DTXSID90191355, OUKYUETWWIPKQR-UHFFFAOYSA-N, BCPP000364, HMS3265E21, HMS3265E22, HMS3265F21, HMS3265F22, HMS3654K03, BCP01733, EBD54002, EX-A1576, ABP000854, AN-592, MFCD09832698, ZINC24811973, AKOS005145757, AC-5249, API0006245, BCP9000358, CS-0101, DB11805, RL03446, SB16503, NCGC00241099-01, NCGC00241099-03, NCGC00241099-06, AK326125, AS-16692, BC656814, HY-10234, SC-22885, SMR004702935, AZD0530/Saracatinib,AZD0530 difumarate, BCP0726000126, AB0030444, LS-193231, FT-0657225, SW218134-2, X2639, AZ-10353926, D09664, W-5405, 231S046, A823939, I14-1980, BRD-K19540840-001-05-2, 4-Quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methyl-1-piperazinyl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)-, N-(5-chloranyl-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-(4-oxanyloxy)-4-quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-, N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxy-quinazolin-4-amine, N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-4-amine, Compound 33, saracatinib difumerate, Saracatinib [USAN], D0M0XB, AZD0530 DIFUMARATE, C27H32ClN5O5, s1006, Saracatinib, AZD-0530, AZD0530, CID10302451, A2133, A10108, C515233, 4-Quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methyl-1- piperazinyl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)-, N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methyl-1-piperazinyl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)-4-quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-((tetrahydro- 2H-pyran-4-yl)oxy)quinazolin-4-amine bi((2E)-but-2-enedioate),

Complexity	743
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	541.209g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	542.033g/mol
Monoisotopic Mass	541.209g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	90.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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